data_2l86_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 2l86 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.756 0.313 . . . . 74.24 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.01 -31.04 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 64.14 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.63 -40.32 8.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 73.42 111.102 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -44.98 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 73.35 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.6 -52.18 58.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -55.45 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.834 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.964 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.41 -36.69 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 63.23 111.108 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -68.85 -37.94 79.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.849 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.5 -22.89 56.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.847 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.93 -41.52 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.72 -30.13 14.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.5 111.113 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.46 66.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.831 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 m -51.93 -28.99 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 73.44 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -33.93 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.81 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 32.44 110.861 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.832 0.349 . . . . 71.34 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.4 m -50.91 -31.13 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.892 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 61.44 111.084 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -45.08 92.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 75.31 111.04 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -52.16 59.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 62.14 110.902 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -55.45 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 61.34 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.46 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.853 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.81 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.01 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.8 -37.91 79.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.22 110.822 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.37 -23.09 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.4 110.861 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.88 -41.55 25.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 74.23 110.928 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.706 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.63 -30.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 62.42 111.155 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.706 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.68 66.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.854 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -29.19 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.883 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.8 -33.92 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 75.25 110.885 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.955 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 75.42 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -31.12 17.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.846 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.47 -40.39 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.35 111.23 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -45.03 92.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.35 111.143 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.56 -52.11 59.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.54 -63.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.54 110.784 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.44 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.31 -36.94 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.095 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -37.86 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.975 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.54 -22.88 56.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.77 -41.65 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 63.43 110.974 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.711 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.23 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.139 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.711 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.66 66.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.846 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -29.18 16.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 64.01 110.877 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -33.86 65.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 72.32 110.831 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.04 110.825 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.816 0.341 . . . . 71.43 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.02 -31.05 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.13 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.59 -40.45 8.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -45.15 91.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 74.34 111.157 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.54 -52.14 59.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -55.53 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 71.33 110.764 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.5 -57.31 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.979 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -38.02 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 71.22 110.901 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.32 -22.91 57.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.952 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.86 -41.78 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.51 110.814 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.708 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.56 -30.07 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.23 111.193 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.708 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.6 m-70 -103.82 66.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 74.35 110.865 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -51.83 -29.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.771 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.9 64.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.04 110.869 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.921 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.869 0.366 . . . . 63.44 111.137 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.81 -31.24 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.872 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 72.4 111.057 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.82 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.124 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.24 -51.77 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 63.5 111.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.32 -63.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.4 5.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 75.33 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.613 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.26 -36.9 21.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.091 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -37.88 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 63.34 110.861 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.55 -22.88 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -41.57 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.8 -30.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 71.24 111.137 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.886 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -51.79 -29.2 18.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.892 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -55.73 -34.02 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.23 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 70.0 110.864 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 71.02 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 t -50.91 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.99 -40.33 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 75.44 111.094 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 63.13 111.076 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -51.76 61.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.54 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -55.37 -62.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.843 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.53 -57.36 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 75.41 110.961 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.82 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.43 111.056 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -38.05 79.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.858 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.44 -22.88 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 70.01 110.919 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -79.88 -41.72 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.886 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.707 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.53 -30.15 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 73.22 111.17 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.707 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.801 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -29.09 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.905 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -33.99 64.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 71.32 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 71.1 110.885 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.865 0.364 . . . . 53.4 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -31.05 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.13 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -45.89 89.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.179 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.23 -51.8 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.25 -63.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 75.52 110.868 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.32 5.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.33 -36.79 22.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.24 111.154 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -37.92 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.91 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.41 -22.88 57.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.96 -41.59 25.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.15 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 54.31 111.098 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.57 65.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.43 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -29.13 17.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 53.43 110.867 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -33.86 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.34 110.833 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.859 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 73.32 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.1 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.906 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.0 -40.34 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.15 111.085 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -46.02 88.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 65.13 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.25 -51.67 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -55.3 -63.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 74.25 110.838 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.36 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.948 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.39 -36.73 22.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 44.13 111.132 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.55 110.871 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.44 -22.86 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.95 -41.66 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.1 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 53.21 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.59 66.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.924 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -51.94 -29.06 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 71.03 110.899 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -55.81 -33.97 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 35.51 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.837 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.377 . . . . 74.42 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -50.91 -31.11 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.911 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.44 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.144 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -44.97 92.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 52.22 111.136 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.55 -52.26 58.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -55.37 -63.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.906 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.46 -57.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.43 -36.76 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.42 111.191 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -68.7 -37.95 79.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.46 -22.94 56.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.884 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.77 -41.76 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.816 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.701 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.62 -30.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 75.3 111.15 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.701 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.01 110.812 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -51.73 -29.02 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -55.99 -33.87 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 73.5 110.85 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 63.02 110.897 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.81 0.338 . . . . 74.51 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -31.04 16.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 71.43 110.889 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.24 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 62.21 111.083 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -45.91 89.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 70.22 111.221 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.29 -51.71 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -55.37 -63.12 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.3 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.35 -57.42 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 61.51 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 51.42 111.053 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.58 -38.04 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.12 110.922 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.43 -22.97 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.73 -41.71 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.57 -30.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.5 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.796 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t -51.9 -28.97 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.12 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -33.88 65.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.82 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 65.3 110.963 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.898 0.38 . . . . 54.21 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -31.16 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.848 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.06 -40.2 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 64.22 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -45.81 89.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 73.44 111.169 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.24 -51.78 61.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.943 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.38 -63.08 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.798 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.49 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.33 -36.88 22.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.127 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.64 -37.93 80.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.883 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.55 -22.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.837 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.78 -41.7 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 73.01 110.965 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.6 -30.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 62.52 111.062 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 73.43 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.0 p -51.82 -29.03 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.815 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -55.82 -33.92 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 71.31 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 74.03 110.969 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.851 0.358 . . . . 63.32 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -51.23 -31.46 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.41 5.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 71.43 111.166 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -46.19 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 52.32 111.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -51.19 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.841 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -63.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 62.43 110.88 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.59 -57.32 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.83 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.38 -36.76 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 41.13 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -38.02 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.873 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.38 -22.98 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.807 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.78 -41.81 25.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.53 -30.18 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 74.03 111.117 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.704 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.6 66.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 75.25 110.8 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -29.18 17.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 74.02 110.843 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -33.77 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 72.25 110.908 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.948 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.802 0.334 . . . . 75.44 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.1 m -51.3 -31.05 20.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 64.14 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.48 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 53.41 111.099 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -46.1 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 65.55 111.191 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -51.15 65.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -63.07 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 71.14 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.58 -57.31 5.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.28 -36.89 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.13 111.09 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -38.06 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.824 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.4 -22.92 57.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 74.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -79.64 -41.91 25.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.702 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.122 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.702 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.42 110.837 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m -51.66 -29.08 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -55.97 -33.89 65.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.843 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 74.13 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -51.11 -31.03 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.05 110.87 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.52 -40.46 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.23 111.137 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.71 92.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 73.24 111.213 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.84 -52.36 57.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -62.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.877 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.81 -56.82 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.935 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.53 -36.45 23.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 42.22 111.14 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -70.29 -36.95 74.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -75.89 -21.99 56.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.88 -40.05 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.51 110.899 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.684 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.38 -30.84 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.154 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.2 m-70 -100.88 63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.817 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -50.42 -31.74 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 62.2 110.863 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -41.86 67.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.96 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.797 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.862 0.363 . . . . 71.52 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.09 -31.02 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.33 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 65.04 111.056 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.176 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -52.26 58.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.963 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.54 110.799 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.99 -56.69 7.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.04 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.53 -36.51 23.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.31 111.089 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -70.3 -36.96 74.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 65.41 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.77 -22.12 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.73 -40.19 20.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.874 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.676 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.47 -30.74 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.136 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.92 63.49 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.915 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p -50.39 -31.6 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 54.23 110.939 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -53.9 -41.85 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.874 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.925 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.07 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.897 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.42 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.14 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -44.79 92.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.45 111.116 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -64.79 -52.37 57.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.88 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.873 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.9 -56.78 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.894 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.4 -36.58 22.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.24 111.167 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -37.03 75.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 70.4 110.95 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -75.86 -22.02 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 74.2 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.82 -40.1 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.43 -30.77 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.43 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.91 63.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.849 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -31.55 15.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 70.14 110.822 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.85 67.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.823 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.842 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.751 0.31 . . . . 62.05 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.02 -31.03 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.1 110.886 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.32 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 31.44 111.051 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -45.14 91.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 72.14 111.133 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -52.15 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.873 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.843 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.93 -56.72 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 73.31 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.56 -36.47 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 70.23 111.096 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -36.86 74.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 71.13 110.925 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.91 -22.02 56.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.53 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.81 -40.1 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.993 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.36 -30.85 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 72.43 111.141 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.83 63.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -50.28 -31.76 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 m -53.81 -41.88 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 72.22 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 73.33 110.915 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.9 0.381 . . . . 63.32 111.169 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.0 -31.13 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.15 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.4 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.13 111.143 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -44.85 92.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 73.33 111.247 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -52.26 58.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.12 110.943 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -62.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.5 tp -47.99 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.934 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.63 -36.46 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 111.086 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.22 -37.02 74.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 62.41 110.883 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -75.84 -22.08 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.45 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.54 -40.34 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.684 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.38 -30.8 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.43 111.095 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.99 66.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.877 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -50.47 -31.52 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.868 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -42.03 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.4 110.933 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.808 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.888 0.375 . . . . 74.11 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.21 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 51.41 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.57 -40.6 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 64.32 111.088 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -46.79 85.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.23 111.214 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -51.53 63.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -62.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.5 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 54.24 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.37 -36.77 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.03 111.119 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.76 -38.03 79.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.838 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.3 -22.98 57.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -79.83 -41.84 25.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.82 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.54 -30.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.145 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.57 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.842 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -29.21 18.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 73.52 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -33.95 64.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 54.34 110.885 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 63.34 110.877 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.1 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.915 0.388 . . . . 75.31 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.74 -31.43 16.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 52.44 110.9 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.45 -40.55 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.41 111.064 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -46.86 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.136 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -51.67 63.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.866 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.45 -57.51 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.899 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.36 -36.65 22.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.33 111.113 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -68.82 -37.93 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.905 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.54 -22.91 56.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.82 -41.58 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.1 110.903 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.16 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.193 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.5 66.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.82 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -29.07 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.35 110.816 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -55.89 -33.81 64.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.829 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 61.12 110.871 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.3 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.771 0.319 . . . . 74.04 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 59.19 95.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 70.31 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -77.86 -71.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 73.1 110.909 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 p -121.95 97.81 5.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 74.52 111.123 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.82 -171.31 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 71.03 111.167 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -28.87 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.137 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.01 -31.04 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 64.14 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.63 -40.32 8.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 73.42 111.102 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -44.98 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 73.35 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.6 -52.18 58.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -55.45 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.834 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.964 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.41 -36.69 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 63.23 111.108 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -68.85 -37.94 79.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.849 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.5 -22.89 56.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.847 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.93 -41.52 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.72 -30.13 14.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.5 111.113 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.46 66.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.831 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 m -51.93 -28.99 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 73.44 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -33.93 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.81 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.6 m120 -51.08 -30.45 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 32.44 110.861 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -41.25 83.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.915 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -49.33 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.928 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.71 -24.4 53.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 71.11 112.522 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.92 -27.8 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.309 . . . . 72.23 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.32 -25.45 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.54 111.12 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -40.33 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.09 -39.76 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.62 31.34 20.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.03 110.842 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -89.48 -26.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.01 111.155 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -101.7 -27.06 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -106.02 -34.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 71.53 111.137 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.24 -53.96 3.3 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.631 -0.795 . . . . 74.24 112.463 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -28.97 29.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 63.42 110.873 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -52.31 -16.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.04 110.921 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.36 -48.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 71.03 111.143 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.63 -92.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 71.05 110.938 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.521 8.03 0 O-C-N 119.61 -1.931 . . . . 32.26 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 75.51 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.65 95.74 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.2 110.84 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -67.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.15 110.907 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.4 m -110.34 84.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 71.44 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.58 -170.47 2.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.43 111.091 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -54.46 -28.32 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.143 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.4 m -50.91 -31.13 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.892 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 61.44 111.084 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -45.08 92.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 75.31 111.04 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -52.16 59.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 62.14 110.902 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -55.45 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 61.34 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.46 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.853 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.81 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.01 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.8 -37.91 79.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.22 110.822 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.37 -23.09 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.4 110.861 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.88 -41.55 25.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 74.23 110.928 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.706 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.63 -30.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 62.42 111.155 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.706 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.68 66.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.854 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -29.19 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.883 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.8 -33.92 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 75.25 110.885 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.6 m120 -51.01 -30.46 15.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.955 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.05 -41.3 83.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -49.32 7.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.2 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.63 -24.48 53.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 74.43 112.583 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.85 -27.89 45.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.648 0.261 . . . . 71.21 111.059 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.21 -25.54 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.297 -0.41 . . . . 71.23 111.145 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.67 -40.61 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.12 110.959 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -87.08 -39.69 15.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.829 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.76 26.44 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.24 110.854 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -73.24 -25.17 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 73.31 111.263 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -116.4 -26.51 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 75.34 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.16 -72.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 73.53 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.13 -32.27 75.62 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.751 -0.738 . . . . 54.34 112.513 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.37 -36.34 53.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.946 0.403 . . . . 72.45 110.937 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -16.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.99 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -115.7 -38.56 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 45.22 111.147 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -105.09 37.09 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 74.21 110.943 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.586 -1.946 . . . . 40.26 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.839 0.352 . . . . 74.45 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.99 166.0 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 71.52 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -138.92 33.31 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.893 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 p -106.64 173.18 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.155 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.56 -49.47 8.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 62.02 111.011 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 t -54.43 -30.34 52.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 75.42 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -31.12 17.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.846 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.47 -40.39 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.35 111.23 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -45.03 92.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.35 111.143 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.56 -52.11 59.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.54 -63.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.54 110.784 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.44 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.31 -36.94 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.095 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -37.86 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.975 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.54 -22.88 56.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.77 -41.65 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 63.43 110.974 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.711 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.23 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.139 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.711 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.66 66.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.846 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -29.18 16.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 64.01 110.877 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -33.86 65.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 72.32 110.831 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.05 -30.42 15.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.04 110.825 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.17 -41.24 78.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 73.02 110.851 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -87.48 -48.8 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.824 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.58 -26.58 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 62.32 112.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -27.38 41.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 73.52 111.097 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.25 -25.78 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.1 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -40.36 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.901 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.1 m -87.02 -40.1 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.16 33.03 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 60.32 110.823 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -82.98 -29.63 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 72.44 111.143 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -108.75 -29.02 8.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.961 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.76 -46.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 73.42 111.119 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.26 -51.29 7.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.725 . . . . 62.42 112.526 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 1.225 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 3.1 t -54.49 -28.53 45.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 74.42 110.797 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.49 -16.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.09 -52.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.12 111.117 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -104.15 -13.02 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.862 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 1.225 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.004 0 O-C-N 119.653 -1.905 . . . . 34.8 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 75.1 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 61.07 175.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.03 110.856 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -155.35 -171.7 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.833 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.29 98.75 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 62.04 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -173.68 -170.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 65.13 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -54.12 -28.93 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.162 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.02 -31.05 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.13 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.59 -40.45 8.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -45.15 91.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 74.34 111.157 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.54 -52.14 59.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -55.53 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 71.33 110.764 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.5 -57.31 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.979 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -38.02 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 71.22 110.901 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.32 -22.91 57.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.952 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.86 -41.78 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.51 110.814 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.708 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.56 -30.07 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.23 111.193 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.708 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.6 m-70 -103.82 66.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 74.35 110.865 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -51.83 -29.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.771 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.9 64.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.04 110.869 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.15 -30.31 16.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.11 -41.4 78.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -87.36 -48.79 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.887 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.74 -26.42 57.51 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.731 . . . . 71.04 112.515 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.99 -27.32 43.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 54.54 111.091 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.22 -25.81 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.165 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.48 -40.53 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.956 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -39.97 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.28 32.48 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 55.01 110.834 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -75.08 -28.66 60.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 62.24 111.234 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -113.48 -28.28 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 70.45 110.886 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -89.14 -50.11 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 65.41 111.035 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.9 -47.83 11.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 71.31 112.505 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -52.67 -30.34 31.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 74.31 110.863 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -52.28 -16.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 73.33 110.813 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.12 -43.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.3 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -110.64 -120.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 74.43 110.884 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.002 0 O-C-N 119.557 -1.965 . . . . 36.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.828 0.346 . . . . 72.21 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -65.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 75.14 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.14 33.58 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -143.25 142.17 31.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.246 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.28 72.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 72.3 111.126 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.3 p -52.08 -34.49 44.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 63.44 111.137 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.81 -31.24 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.872 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 72.4 111.057 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.82 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.124 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.24 -51.77 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 63.5 111.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.32 -63.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.4 5.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 75.33 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.613 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.26 -36.9 21.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.091 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -37.88 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 63.34 110.861 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.55 -22.88 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -41.57 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.8 -30.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 71.24 111.137 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.886 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -51.79 -29.2 18.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.892 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -55.73 -34.02 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.23 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.6 m120 -50.98 -30.54 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 70.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.07 -41.18 82.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.906 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -87.38 -49.27 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 64.35 110.916 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.79 -24.45 53.62 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.709 -0.758 . . . . 62.31 112.457 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.83 -27.81 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 72.12 111.057 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.28 -25.7 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 64.31 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.65 -41.02 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.927 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -39.89 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.931 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p 53.76 31.62 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 71.52 110.849 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.4 t -70.06 -29.08 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.52 111.146 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -107.12 -28.67 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.25 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.91 95.09 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.726 -0.749 . . . . 64.44 112.452 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -52.4 -30.8 31.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 73.41 110.855 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -16.6 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -39.52 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 74.53 111.206 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -105.7 58.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.599 -1.938 . . . . 44.39 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.33 . . . . 74.2 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -119.76 119.43 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.1 110.865 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.73 -72.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.847 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -129.96 27.43 5.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 62.24 111.15 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.33 -170.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.03 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -53.92 -28.31 36.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 71.02 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 t -50.91 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.99 -40.33 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 75.44 111.094 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 63.13 111.076 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -51.76 61.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.54 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -55.37 -62.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.843 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.53 -57.36 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 75.41 110.961 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.82 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.43 111.056 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -38.05 79.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.858 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.44 -22.88 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 70.01 110.919 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -79.88 -41.72 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.886 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.707 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.53 -30.15 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 73.22 111.17 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.707 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.801 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -29.09 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.905 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -33.99 64.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 71.32 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.5 m120 -50.93 -30.57 15.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 71.1 110.885 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.06 -41.28 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.51 110.817 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -49.44 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.822 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.62 -24.53 53.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 45.34 112.532 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.78 -27.84 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 74.32 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.26 -25.55 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 73.34 111.135 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.81 -40.63 24.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.89 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.99 -39.45 15.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 72.25 110.938 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m 63.11 36.29 12.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.806 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 t -87.24 -27.83 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 73.21 111.162 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -104.0 -29.07 11.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 64.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.55 -52.22 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.05 111.195 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.85 33.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.666 -0.778 . . . . 62.54 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 4.6 t -52.9 -30.87 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 71.12 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.2 -16.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 74.34 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 -41.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.32 111.154 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -115.45 18.28 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.883 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.677 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.983 0 O-C-N 119.58 -1.95 . . . . 46.25 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.782 0.325 . . . . 74.23 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -158.11 173.2 17.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 65.52 110.928 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -124.79 -170.34 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.894 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 m -55.62 100.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.133 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.8 -169.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 73.31 111.088 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -54.41 -27.57 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 53.4 111.146 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -31.05 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.13 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -45.89 89.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.179 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.23 -51.8 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.25 -63.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 75.52 110.868 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.32 5.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.33 -36.79 22.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.24 111.154 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -37.92 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.91 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.41 -22.88 57.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.96 -41.59 25.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.15 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 54.31 111.098 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.57 65.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.43 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -29.13 17.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 53.43 110.867 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -33.86 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.34 110.833 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.6 m120 -51.04 -30.59 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.859 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.99 -41.21 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.44 110.928 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -87.44 -49.35 7.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.59 -24.58 53.23 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.643 -0.789 . . . . 72.13 112.517 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.73 -27.83 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 72.31 111.123 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 -25.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 72.45 111.167 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -40.62 25.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 65.33 110.989 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -87.11 -39.92 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.831 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p 57.4 26.91 13.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.781 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -70.61 -28.26 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.137 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.578 ' OD1' HG23 ' A' ' 32' ' ' VAL . 3.5 p-10 -111.44 -29.71 7.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.814 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG23 ' OD1' ' A' ' 31' ' ' ASN . 22.0 t -89.98 -50.39 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.151 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.83 -49.29 29.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.821 -0.704 . . . . 73.21 112.501 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -54.26 -28.32 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 63.2 110.837 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -52.27 -16.66 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.913 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -46.3 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 74.55 111.209 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -95.77 -138.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 73.13 110.847 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.999 0 O-C-N 119.524 -1.985 . . . . 35.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.728 0.299 . . . . 54.23 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.8 p -169.79 -176.53 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 43.34 110.839 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.75 -67.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 62.33 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -170.83 37.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 75.45 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.61 -66.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 72.03 111.13 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -52.92 -29.08 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 73.32 111.114 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.1 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.906 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.0 -40.34 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.15 111.085 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -46.02 88.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 65.13 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.25 -51.67 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -55.3 -63.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 74.25 110.838 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.36 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.948 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.39 -36.73 22.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 44.13 111.132 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.55 110.871 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.44 -22.86 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.95 -41.66 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.1 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 53.21 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.59 66.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.924 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -51.94 -29.06 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 71.03 110.899 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -55.81 -33.97 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 35.51 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.5 m120 -51.0 -30.56 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.837 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.93 -41.3 82.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 63.1 110.953 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -87.43 -49.41 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.33 110.838 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.52 52.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.803 -0.713 . . . . 70.13 112.487 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.88 -27.79 45.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 75.33 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 -25.45 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 75.14 111.153 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -40.96 25.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 74.13 110.97 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -86.99 -39.54 15.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 75.51 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.55 26.51 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.835 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -68.98 -27.2 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.03 111.212 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -117.74 -29.89 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.875 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -83.8 -72.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 73.21 111.094 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.38 70.88 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.652 -0.785 . . . . 72.34 112.521 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -52.45 -36.33 54.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.353 . . . . 70.43 110.742 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -52.29 -16.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.3 110.896 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -114.93 -48.72 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 60.13 111.172 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -105.16 46.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.861 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.999 0 O-C-N 119.614 -1.929 . . . . 41.22 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.878 0.371 . . . . 75.35 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.3 t -94.15 118.61 31.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 61.42 110.939 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.75 -55.73 1.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 71.51 110.994 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 t 179.41 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 71.23 111.2 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.11 -71.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 74.23 111.121 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -53.71 -32.26 51.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.108 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -50.91 -31.11 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.911 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.44 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.144 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -44.97 92.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 52.22 111.136 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.55 -52.26 58.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -55.37 -63.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.906 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.46 -57.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.43 -36.76 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.42 111.191 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -68.7 -37.95 79.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.46 -22.94 56.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.884 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.77 -41.76 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.816 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.701 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.62 -30.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 75.3 111.15 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.701 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.01 110.812 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -51.73 -29.02 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -55.99 -33.87 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 73.5 110.85 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.03 -30.41 15.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 63.02 110.897 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.13 -41.31 78.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 70.04 110.941 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -87.56 -48.71 7.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 72.42 110.792 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.59 -26.88 57.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 61.1 112.479 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.54 -27.31 37.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.711 0.291 . . . . 54.53 111.045 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.25 -26.92 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 71.23 111.142 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.64 -43.25 32.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.951 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -38.67 16.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.51 110.854 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m 57.76 53.55 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -85.92 -25.06 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.22 111.107 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -111.53 -26.35 9.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.84 -32.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.16 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -57.68 2.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 65.14 112.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -29.44 43.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 55.21 110.832 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.25 -16.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 65.31 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -39.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -104.18 65.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.932 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.603 -1.936 . . . . 42.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.848 0.356 . . . . 43.25 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m 55.26 77.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -97.01 35.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.919 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.47 158.56 43.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 75.12 111.125 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.11 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.138 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -53.59 -34.93 60.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.51 111.12 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -31.04 16.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 71.43 110.889 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.24 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 62.21 111.083 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -45.91 89.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 70.22 111.221 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.29 -51.71 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -55.37 -63.12 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.3 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.35 -57.42 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 61.51 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 51.42 111.053 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.58 -38.04 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.12 110.922 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.43 -22.97 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.73 -41.71 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.57 -30.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.5 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.796 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t -51.9 -28.97 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.12 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -33.88 65.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.82 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.07 -30.42 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 65.3 110.963 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.06 -41.28 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 71.43 110.94 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -87.43 -48.78 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.33 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.29 57.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 74.23 112.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.19 43.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.687 0.28 . . . . 72.12 111.08 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.39 -25.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 53.44 111.087 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.34 -40.37 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.909 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -87.0 -39.09 15.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 65.04 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.0 40.79 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 64.53 110.893 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -84.78 -25.15 28.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 75.03 111.134 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -108.71 -26.56 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 73.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.4 -33.8 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.181 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.75 -46.43 5.43 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 52.23 112.51 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 p -51.95 -33.56 38.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 70.14 110.917 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.35 -16.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.825 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.0 m -119.03 -43.63 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.161 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' HB3' ' HN1' ' A' ' 38' ' ' NH2 . 18.6 m-85 -94.18 -140.32 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.442 ' HN1' ' HB3' ' A' ' 37' ' ' TYR . . . . . . . . 1 C--N 1.52 8.005 0 O-C-N 119.544 -1.972 . . . . 34.51 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.48 ' HD2' ' H1 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.83 0.347 . . . . 70.54 110.849 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m 56.93 91.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -94.83 -38.51 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 71.15 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.4 162.88 11.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 73.45 111.024 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.06 -38.33 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 53.44 110.993 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 t -52.03 -32.87 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 54.21 111.152 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -31.16 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.848 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.06 -40.2 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 64.22 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -45.81 89.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 73.44 111.169 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.24 -51.78 61.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.943 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.38 -63.08 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.798 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.49 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.33 -36.88 22.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.127 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.64 -37.93 80.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.883 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.55 -22.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.837 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.78 -41.7 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 73.01 110.965 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.6 -30.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 62.52 111.062 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 73.43 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.0 p -51.82 -29.03 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.815 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -55.82 -33.92 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 71.31 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -51.07 -30.36 15.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 74.03 110.969 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.27 -41.26 79.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -48.69 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.52 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.61 -26.83 57.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.664 -0.779 . . . . 63.04 112.504 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.37 -27.34 35.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 74.11 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.32 -26.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.42 111.123 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.59 -43.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -87.03 -38.55 16.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 73.02 110.829 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.29 40.47 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 73.5 110.827 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 t -87.61 -26.98 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.44 111.147 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -105.28 -28.91 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.914 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.33 -33.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 54.41 111.077 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.69 -54.51 3.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 73.24 112.525 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.681 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 0.6 OUTLIER -53.65 -29.9 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 74.44 110.819 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -16.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.35 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.33 111.112 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -121.95 -58.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.14 110.826 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.681 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.002 0 O-C-N 119.606 -1.934 . . . . 38.29 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 pttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.784 0.326 . . . . 74.31 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 139.9 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.86 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -72.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.952 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.78 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.101 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.44 -28.03 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 54.15 111.148 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.8 p -51.91 -30.3 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.118 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -51.23 -31.46 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.41 5.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 71.43 111.166 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -46.19 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 52.32 111.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -51.19 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.841 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -63.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 62.43 110.88 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.59 -57.32 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.83 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.38 -36.76 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 41.13 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -38.02 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.873 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.38 -22.98 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.807 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.78 -41.81 25.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.53 -30.18 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 74.03 111.117 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.704 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.6 66.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 75.25 110.8 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -29.18 17.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 74.02 110.843 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -33.77 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 72.25 110.908 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.14 -30.29 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -41.11 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.812 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -87.63 -48.69 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 75.41 110.794 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.7 -26.46 57.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.8 -0.714 . . . . 65.14 112.477 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.04 -27.27 43.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 74.13 111.103 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.34 -25.68 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.068 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.41 -40.57 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 71.24 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -87.02 -39.7 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 72.55 110.88 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.18 38.59 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 70.33 110.845 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -72.46 -31.05 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 73.01 111.242 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -111.57 -27.31 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.831 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.3 t -89.5 -47.75 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.147 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.67 -47.75 9.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.725 -0.75 . . . . 63.43 112.496 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.777 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 1.2 t -53.72 -28.68 35.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 53.15 110.866 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.31 -16.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 72.34 110.863 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 -44.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.34 111.072 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.78 -63.84 1.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 73.2 110.918 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.777 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.564 -1.96 . . . . 35.68 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.76 0.314 . . . . 73.31 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.98 50.7 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 43.34 110.864 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -96.0 26.97 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.4 110.917 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -155.53 44.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 74.51 111.133 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.83 -169.94 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 75.52 111.095 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -55.43 -25.64 37.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 75.44 111.087 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.1 m -51.3 -31.05 20.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 64.14 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.48 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 53.41 111.099 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -46.1 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 65.55 111.191 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -51.15 65.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -63.07 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 71.14 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.58 -57.31 5.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.28 -36.89 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.13 111.09 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -38.06 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.824 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.4 -22.92 57.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 74.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -79.64 -41.91 25.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.702 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.122 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.702 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.42 110.837 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m -51.66 -29.08 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -55.97 -33.89 65.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.12 -30.28 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.843 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.18 -41.36 79.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.4 110.827 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -48.77 7.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.11 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.73 -26.38 57.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.781 . . . . 74.25 112.538 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.99 -27.26 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 74.2 111.184 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.26 -25.67 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.32 111.119 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.8 -40.11 23.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -87.11 -39.17 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.25 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.35 26.49 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 53.24 110.831 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -66.71 -25.27 66.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.144 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -108.23 -26.26 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.923 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.7 t -96.48 -70.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.07 -28.07 47.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 65.11 112.549 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 4.2 t -52.65 -37.21 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 71.22 110.834 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -52.38 -16.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.79 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -113.48 -50.43 2.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 75.14 111.098 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -95.37 -1.49 51.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.24 110.96 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.825 ' N ' ' O ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.983 0 O-C-N 119.626 -1.921 . . . . 38.94 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.794 0.331 . . . . 75.11 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 5' ' ' ALA . 4.8 t -160.76 65.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.89 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.85 -68.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 63.42 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -108.0 101.14 10.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.14 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -173.46 -170.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 62.14 111.09 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -53.38 -28.37 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.109 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -51.11 -31.03 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.05 110.87 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.52 -40.46 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.23 111.137 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.71 92.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 73.24 111.213 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.84 -52.36 57.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -62.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.877 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.81 -56.82 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.935 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.53 -36.45 23.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 42.22 111.14 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -70.29 -36.95 74.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -75.89 -21.99 56.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.88 -40.05 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.51 110.899 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.684 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.38 -30.84 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.154 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.2 m-70 -100.88 63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.817 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -50.42 -31.74 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 62.2 110.863 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -41.86 67.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.96 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.56 -31.22 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.797 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.79 -43.2 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 64.24 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' O ' HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.25 -46.43 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.866 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.42 -24.82 47.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.862 -0.685 . . . . 73.04 112.435 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.84 -28.67 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.65 0.262 . . . . 71.22 111.086 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD11 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.09 -24.69 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 74.24 111.228 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.63 -40.48 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.909 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.89 -39.84 15.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.807 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m 55.21 32.02 17.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.849 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -87.5 -27.61 22.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.23 111.112 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -109.13 -28.86 8.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 74.25 110.766 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.21 -62.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 54.54 111.169 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.09 -52.53 43.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 74.31 112.492 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -30.23 28.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 72.21 110.828 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.36 -16.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.6 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.35 111.229 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -111.02 -75.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.894 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.548 -1.97 . . . . 37.34 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.0 t -153.76 78.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 63.32 110.893 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -118.12 -56.01 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.789 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.54 149.53 21.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.189 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.5 -26.24 63.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 62.15 111.166 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.3 m -52.36 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 71.52 111.108 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.09 -31.02 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.33 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 65.04 111.056 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.176 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -52.26 58.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.963 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.54 110.799 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.99 -56.69 7.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.04 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.53 -36.51 23.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.31 111.089 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -70.3 -36.96 74.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 65.41 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.77 -22.12 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.73 -40.19 20.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.874 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.676 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.47 -30.74 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.136 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.92 63.49 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.915 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p -50.39 -31.6 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 54.23 110.939 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -53.9 -41.85 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.874 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.47 -31.18 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.89 -43.07 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.53 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.36 -46.39 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.2 110.858 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.86 48.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 65.45 112.401 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.86 -28.68 51.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 73.34 111.08 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.04 -24.75 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.12 111.181 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.85 -40.93 19.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 74.55 110.94 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 t -86.95 -37.87 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 53.15 110.827 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.31 26.59 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.885 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -71.85 -25.09 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.12 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -116.63 -26.85 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 72.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -88.43 -72.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.35 71.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 61.51 112.493 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 1.002 ' HA ' ' HN1' ' A' ' 38' ' ' NH2 . 7.4 t -52.4 -36.64 54.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 72.51 110.852 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -52.29 -16.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 55.21 110.9 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -114.71 -51.11 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 73.24 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -108.76 -45.95 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 74.25 110.988 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 1.002 ' HN1' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.63 -1.919 . . . . 35.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.803 0.335 . . . . 73.2 110.983 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 m 57.22 88.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.848 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 57.77 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.893 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.23 179.83 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.54 111.162 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.6 -47.63 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 73.22 111.044 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.5 t -54.84 -29.99 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 75.31 111.125 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.07 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.897 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.42 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.14 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -44.79 92.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.45 111.116 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -64.79 -52.37 57.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.88 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.873 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.9 -56.78 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.894 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.4 -36.58 22.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.24 111.167 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -37.03 75.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 70.4 110.95 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -75.86 -22.02 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 74.2 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.82 -40.1 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.43 -30.77 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.43 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.91 63.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.849 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -31.55 15.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 70.14 110.822 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.85 67.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.823 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.55 -31.19 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.842 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.83 -43.16 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.01 110.888 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' O ' HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.26 -46.49 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.831 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.44 -24.77 47.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 73.33 112.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.88 -28.69 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 74.35 111.124 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.403 HD11 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.03 -24.73 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.45 111.168 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -40.14 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -38.93 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m 57.87 30.61 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 74.41 110.856 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -82.54 -29.77 30.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.152 -0.476 . . . . 72.42 111.091 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -106.68 -29.19 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.859 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.88 -58.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 74.11 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.5 -52.62 41.65 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.8 -0.714 . . . . 54.24 112.429 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 1.333 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 3.6 t -54.71 -28.37 47.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 74.11 110.84 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.27 -16.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 70.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -136.44 -47.95 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.42 111.176 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -117.98 6.6 12.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.975 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 1.333 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.52 -1.987 . . . . 36.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.322 . . . . 75.3 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.68 126.19 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 73.05 110.871 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -123.03 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -122.57 28.41 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 75.14 111.169 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.9 -170.93 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 65.21 111.107 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -53.55 -27.89 28.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.196 -0.456 . . . . 62.05 111.163 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.02 -31.03 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.1 110.886 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.32 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 31.44 111.051 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -45.14 91.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 72.14 111.133 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -52.15 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.873 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.843 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.93 -56.72 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 73.31 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.56 -36.47 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 70.23 111.096 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -36.86 74.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 71.13 110.925 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.91 -22.02 56.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.53 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.81 -40.1 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.993 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.36 -30.85 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 72.43 111.141 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.83 63.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -50.28 -31.76 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 m -53.81 -41.88 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 72.22 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.49 -31.27 14.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 73.33 110.915 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.73 -43.22 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.1 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' O ' HD11 ' A' ' 26' ' ' ILE . 16.2 t80 -87.19 -46.45 9.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.21 110.89 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.43 -24.89 47.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 74.01 112.493 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.76 -28.72 50.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 62.35 111.153 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.401 HD11 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.06 -24.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.103 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.59 -40.97 22.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 64.41 110.955 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 -38.4 16.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 71.05 110.885 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.12 29.78 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 72.5 110.834 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -76.33 -30.59 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.3 111.099 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.98 -29.94 9.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.42 -59.01 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.22 111.161 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.44 -50.59 63.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 65.35 112.541 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 1.248 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 1.1 p -52.73 -29.69 28.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 73.44 110.829 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -52.29 -16.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 73.24 110.905 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.7 -52.46 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 71.32 111.086 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -100.42 -30.9 11.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.962 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 1.248 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.598 -1.939 . . . . 31.49 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.875 0.369 . . . . 75.04 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 55.69 88.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.919 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -81.87 -37.64 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.857 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -64.63 155.1 34.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.063 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.61 -28.66 36.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.135 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -53.74 -31.21 47.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 63.32 111.169 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.0 -31.13 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.15 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.4 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.13 111.143 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -44.85 92.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 73.33 111.247 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -52.26 58.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.12 110.943 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -62.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.5 tp -47.99 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.934 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.63 -36.46 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 111.086 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.22 -37.02 74.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 62.41 110.883 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -75.84 -22.08 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.45 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.54 -40.34 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.684 HG12 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.38 -30.8 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.43 111.095 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG12 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.99 66.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.877 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -50.47 -31.52 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.868 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -42.03 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.4 110.933 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -50.47 -31.35 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 75.53 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.52 -43.3 65.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.881 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' O ' HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.24 -46.3 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.904 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.52 -24.29 46.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.423 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.9 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 72.53 111.134 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 HD11 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -80.91 -24.76 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.088 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -40.86 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.887 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -86.97 -36.32 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p 58.84 26.41 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 62.34 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -73.02 -27.93 62.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 74.44 111.181 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -112.13 -29.76 7.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.16 -66.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.185 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.83 98.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 72.44 112.433 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 1.035 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 23.3 t -52.95 -30.48 34.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 62.4 110.859 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -52.32 -16.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.51 -38.72 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.073 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.91 -56.59 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.005 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 1.035 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.0 0 O-C-N 119.542 -1.973 . . . . 40.47 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.33 . . . . 74.55 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -74.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 51.52 110.85 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.5 t30 52.17 36.24 18.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 74.31 110.911 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 p -100.98 -73.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 70.44 111.131 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.93 -74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 71.34 111.147 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -54.09 -38.29 65.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.155 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.21 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 51.41 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.57 -40.6 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 64.32 111.088 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -46.79 85.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.23 111.214 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -51.53 63.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -62.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.5 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 54.24 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.37 -36.77 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.03 111.119 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.76 -38.03 79.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.838 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.3 -22.98 57.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -79.83 -41.84 25.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.82 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.54 -30.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.145 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.57 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.842 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -29.21 18.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 73.52 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -33.95 64.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 54.34 110.885 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.6 m120 -50.94 -30.65 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 63.34 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.9 -41.25 82.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -87.43 -49.33 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 72.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.78 -24.45 53.54 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.729 -0.748 . . . . 73.24 112.397 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.74 -27.92 44.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 62.11 111.114 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.22 -25.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.41 111.11 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -40.6 26.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 72.15 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -87.15 -39.84 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.834 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p 54.29 32.07 15.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.887 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -87.54 -26.47 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 70.12 111.109 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.8 -29.85 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.907 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.37 -34.52 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.204 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.68 -55.79 3.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.426 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -27.78 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 75.14 110.812 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.34 -16.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.901 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.84 -54.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.177 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -118.4 -100.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.006 0 O-C-N 119.605 -1.934 . . . . 38.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.828 0.347 . . . . 72.23 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -171.62 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 53.01 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 t30 52.11 51.92 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.8 m -113.0 -73.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.23 111.138 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -176.98 -74.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 61.41 111.097 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.1 p -52.53 -35.59 53.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 75.31 111.228 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.74 -31.43 16.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 52.44 110.9 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.45 -40.55 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.41 111.064 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -46.86 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.136 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -51.67 63.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.866 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.45 -57.51 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.899 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -49.36 -36.65 22.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.33 111.113 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -68.82 -37.93 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.905 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.54 -22.91 56.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.82 -41.58 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.1 110.903 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.16 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.193 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CD2' HG12 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.5 66.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.82 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -29.07 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.35 110.816 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -55.89 -33.81 64.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.829 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 7.6 m120 -51.02 -30.54 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 61.12 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.02 -41.33 82.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -87.29 -49.4 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 75.53 110.862 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.69 -24.5 53.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 62.04 112.39 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -54.92 -27.77 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.779 0.324 . . . . 61.43 111.059 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.35 -25.37 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 75.41 111.217 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.73 -40.74 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 55.2 110.902 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.97 -39.75 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 61.32 110.801 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.52 46.12 18.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 74.54 110.82 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -89.9 -28.15 19.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.4 111.134 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -101.18 -30.06 11.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 70.53 110.866 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.86 -31.71 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 62.55 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.07 -56.09 2.51 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 71.14 112.536 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 0.2 OUTLIER -52.76 -29.77 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 70.41 110.882 -179.737 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -52.28 -16.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.868 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -40.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 55.22 111.119 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -104.0 8.38 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 75.02 110.916 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.533 ' N ' ' O ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.001 0 O-C-N 119.595 -1.941 . . . . 45.1 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.756 0.313 . . . . 74.239999999999995 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.01 -31.04 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.63 -40.32 8.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 73.420000000000002 111.102 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -44.98 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 40.119999999999997 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.6 -52.18 58.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.209999999999994 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -55.45 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.834 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 110.964 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.41 -36.69 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 63.229999999999997 111.108 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -68.85 -37.94 79.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.849 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.5 -22.89 56.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.847 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.93 -41.52 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 50.310000000000002 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.72 -30.13 14.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.5 111.113 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.46 66.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.831 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 m -51.93 -28.99 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 73.439999999999998 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -33.93 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.81 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 32.439999999999998 110.861 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.832 0.349 . . . . 71.340000000000003 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.4 m -50.91 -31.13 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.892 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 61.439999999999998 111.084 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -45.08 92.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 70.450000000000003 111.04 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -52.16 59.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 62.140000000000001 110.902 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -55.45 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 61.340000000000003 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.46 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 72.340000000000003 110.853 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.81 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.01 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.8 -37.91 79.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.219999999999999 110.822 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.37 -23.09 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.861 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.88 -41.55 25.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 74.230000000000004 110.928 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.63 -30.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 62.420000000000002 111.155 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.506 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.68 66.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.854 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -29.19 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.340000000000003 110.883 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.8 -33.92 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 73.319999999999993 110.885 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 74.310000000000002 110.955 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 71.329999999999998 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -31.12 17.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.47 -40.39 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.349999999999994 111.23 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -45.03 92.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.329999999999998 111.143 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.56 -52.11 59.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.54 -63.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.784 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.44 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.31 -36.94 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.095 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -37.86 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.975 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.54 -22.88 56.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.77 -41.65 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 63.43 110.974 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.61 -30.23 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 111.139 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.511 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.66 66.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.846 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -29.18 16.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 64.010000000000005 110.877 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -33.86 65.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 72.319999999999993 110.831 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.040000000000006 110.825 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.816 0.341 . . . . 71.430000000000007 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.02 -31.05 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.59 -40.45 8.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -45.15 91.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 111.157 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.54 -52.14 59.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 65.439999999999998 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -55.53 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.764 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.5 -57.31 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.979 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 111.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -38.02 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 71.219999999999999 110.901 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.32 -22.91 57.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.129999999999995 110.952 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.86 -41.78 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.510000000000005 110.814 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.56 -30.07 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 111.193 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.507 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.82 66.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 74.349999999999994 110.865 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -51.83 -29.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.771 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.9 64.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 60.420000000000002 110.869 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.219999999999999 110.921 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.869 0.366 . . . . 60.140000000000001 111.137 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.81 -31.24 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.340000000000003 110.872 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 72.400000000000006 111.057 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.82 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 111.124 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.24 -51.77 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 63.5 111.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.32 -63.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.140000000000001 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.4 5.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.129999999999995 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.613 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.26 -36.9 21.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 64.230000000000004 111.091 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -37.88 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 55.420000000000002 110.861 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.55 -22.88 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -41.57 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.8 -30.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 61.229999999999997 111.137 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.58 66.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -51.79 -29.2 18.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 64.340000000000003 110.892 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -55.73 -34.02 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 63.140000000000001 110.864 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 64.030000000000001 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 t -50.91 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.99 -40.33 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 53.43 111.094 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 63.130000000000003 111.076 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -51.76 61.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.540000000000006 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -55.37 -62.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.843 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.53 -57.36 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 74.409999999999997 110.961 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.82 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 111.056 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -38.05 79.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.858 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.44 -22.88 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 70.010000000000005 110.919 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -79.88 -41.72 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.886 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.53 -30.15 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 73.219999999999999 111.17 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.508 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.58 66.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.801 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -29.09 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 70.239999999999995 110.905 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -33.99 64.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 64.319999999999993 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 71.099999999999994 110.885 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.865 0.364 . . . . 53.399999999999999 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -31.05 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.13 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 51.130000000000003 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -45.89 89.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.179 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.23 -51.8 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 71.209999999999994 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.25 -63.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 71.510000000000005 110.868 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.32 5.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 73.219999999999999 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.79 22.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.154 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -37.92 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 110.91 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.41 -22.88 57.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.96 -41.59 25.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.64 -30.15 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 41.210000000000001 111.098 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.57 65.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.430000000000007 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -29.13 17.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 53.43 110.867 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -33.86 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.450000000000003 110.833 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 110.859 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 73.319999999999993 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.1 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.906 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.0 -40.34 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 65.420000000000002 111.085 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -46.02 88.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 65.129999999999995 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.25 -51.67 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -55.3 -63.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 74.25 110.838 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.36 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.39 -36.73 22.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 35.140000000000001 111.132 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.549999999999997 110.871 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.44 -22.86 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.95 -41.66 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.61 -30.1 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 53.210000000000001 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.59 66.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.924 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -51.94 -29.06 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 71.030000000000001 110.899 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -55.81 -33.97 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 34.310000000000002 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 71.109999999999999 110.837 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.377 . . . . 72.239999999999995 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -50.91 -31.11 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 52.43 110.911 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.44 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 72.030000000000001 111.144 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -44.97 92.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 42.030000000000001 111.136 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.55 -52.26 58.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.430000000000007 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -55.37 -63.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.906 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.46 -57.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.43 -36.76 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.191 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -68.7 -37.95 79.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.519999999999996 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.46 -22.94 56.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.884 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.77 -41.76 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 110.816 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.5 p -78.62 -30.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 75.299999999999997 111.15 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.52 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.812 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -51.73 -29.02 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 64.040000000000006 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -55.99 -33.87 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 73.5 110.85 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 63.020000000000003 110.897 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.81 0.338 . . . . 74.510000000000005 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -31.04 16.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 62.329999999999998 110.889 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.24 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 54.420000000000002 111.083 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -45.91 89.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 70.219999999999999 111.221 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.29 -51.71 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -55.37 -63.12 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.35 -57.42 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 42.229999999999997 111.053 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.58 -38.04 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.120000000000005 110.922 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.43 -22.97 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.73 -41.71 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.57 -30.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.5 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.506 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.52 66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.796 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t -51.9 -28.97 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -33.88 65.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.82 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 65.299999999999997 110.963 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.898 0.38 . . . . 54.210000000000001 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -31.16 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.848 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.06 -40.2 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 61.229999999999997 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -45.81 89.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 73.439999999999998 111.169 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.24 -51.78 61.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.943 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.38 -63.08 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.798 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.49 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.88 22.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 111.127 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.64 -37.93 80.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.883 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.55 -22.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.150000000000006 110.837 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.78 -41.7 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 65.150000000000006 110.965 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.6 -30.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 62.520000000000003 111.062 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.508 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.47 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 54.420000000000002 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.0 p -51.82 -29.03 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.815 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -55.82 -33.92 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 62.420000000000002 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 70.409999999999997 110.969 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.851 0.358 . . . . 51.420000000000002 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -51.23 -31.46 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.41 5.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 52.420000000000002 111.166 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -46.19 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 52.32 111.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -51.19 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 75.420000000000002 110.841 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -63.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 60.030000000000001 110.88 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.59 -57.32 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 70.420000000000002 110.83 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.38 -36.76 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 41.130000000000003 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -38.02 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 62.219999999999999 110.873 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.38 -22.98 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.807 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.78 -41.81 25.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 55.240000000000002 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.5 p -78.53 -30.18 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 74.030000000000001 111.117 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.6 66.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 75.25 110.8 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -29.18 17.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 74.019999999999996 110.843 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -33.77 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 72.25 110.908 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.948 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.802 0.334 . . . . 75.439999999999998 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.1 m -51.3 -31.05 20.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 64.140000000000001 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.48 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 53.409999999999997 111.099 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -46.1 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.25 111.191 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -51.15 65.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -63.07 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.58 -57.31 5.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 62.109999999999999 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.28 -36.89 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 111.09 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -38.06 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 70.409999999999997 110.824 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.4 -22.92 57.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 71.019999999999996 110.932 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -79.64 -41.91 25.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 74.109999999999999 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 111.122 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.2 m80 -103.47 66.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.420000000000002 110.837 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m -51.66 -29.08 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -55.97 -33.89 65.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.109999999999999 110.843 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 74.129999999999995 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -51.11 -31.03 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 50.439999999999998 110.87 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.52 -40.46 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.137 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.71 92.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 73.239999999999995 111.213 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.84 -52.36 57.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 62.409999999999997 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -62.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.877 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.81 -56.82 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.935 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.45 23.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 42.219999999999999 111.14 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -70.29 -36.95 74.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 74.219999999999999 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -75.89 -21.99 56.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.88 -40.05 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 72.099999999999994 110.899 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.7 p -78.38 -30.84 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 63.420000000000002 111.154 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.88 63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 44.420000000000002 110.817 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -50.42 -31.74 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 54.039999999999999 110.863 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -41.86 67.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.439999999999998 110.96 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 75.140000000000001 110.797 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.862 0.363 . . . . 71.519999999999996 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.09 -31.02 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.33 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 65.040000000000006 111.056 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -52.26 58.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 75.200000000000003 110.963 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.799 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.99 -56.69 7.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.51 23.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 52.049999999999997 111.089 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -70.3 -36.96 74.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 65.409999999999997 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.77 -22.12 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.73 -40.19 20.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.874 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.7 p -78.47 -30.74 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 111.136 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.476 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.8 m80 -100.92 63.49 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.915 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p -50.39 -31.6 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 50.030000000000001 110.939 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -53.9 -41.85 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.874 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.925 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 75.310000000000002 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.07 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 33.509999999999998 110.897 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.42 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -44.79 92.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.200000000000003 111.116 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -64.79 -52.37 57.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 71.549999999999997 110.912 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.88 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 110.873 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.9 -56.78 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.894 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.4 -36.58 22.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.239999999999995 111.167 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -37.03 75.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 70.400000000000006 110.95 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -75.86 -22.02 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 74.200000000000003 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.82 -40.1 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.6 p -78.43 -30.77 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 60.329999999999998 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.91 63.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.849 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -31.55 15.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 63.409999999999997 110.822 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.85 67.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 73.010000000000005 110.823 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.842 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.751 0.31 . . . . 62.049999999999997 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.02 -31.03 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.099999999999994 110.886 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.32 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 31.440000000000001 111.051 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -45.14 91.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 72.140000000000001 111.133 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -52.15 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 72.530000000000001 110.873 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 70.099999999999994 110.843 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.93 -56.72 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 72.319999999999993 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.56 -36.47 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 70.230000000000004 111.096 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -36.86 74.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.430000000000007 110.925 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.91 -22.02 56.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.81 -40.1 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 74.150000000000006 110.993 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.7 p -78.36 -30.85 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 111.141 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.83 63.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -50.28 -31.76 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.349999999999994 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 m -53.81 -41.88 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 51.340000000000003 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 72.319999999999993 110.915 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.9 0.381 . . . . 51.409999999999997 111.169 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.0 -31.13 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 53.310000000000002 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.4 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 111.143 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -44.85 92.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.247 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -52.26 58.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.120000000000005 110.943 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -62.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 73.230000000000004 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.5 tp -47.99 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.934 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.63 -36.46 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.086 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.22 -37.02 74.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 62.409999999999997 110.883 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -75.84 -22.08 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.450000000000003 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.54 -40.34 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.6 p -78.38 -30.8 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 111.095 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.99 66.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 110.877 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -50.47 -31.52 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.868 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -42.03 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 55.210000000000001 110.933 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 74.409999999999997 110.808 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.888 0.375 . . . . 74.109999999999999 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.21 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 43.140000000000001 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.57 -40.6 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 64.319999999999993 111.088 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -46.79 85.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 111.214 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -51.53 63.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -62.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.519999999999996 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.5 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 54.240000000000002 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.37 -36.77 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.119 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.76 -38.03 79.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.838 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.3 -22.98 57.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -79.83 -41.84 25.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 75.430000000000007 110.82 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.54 -30.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.145 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.57 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 73.430000000000007 110.842 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -29.21 18.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 43.25 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -33.95 64.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 54.340000000000003 110.885 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 63.340000000000003 110.877 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.1 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.915 0.388 . . . . 75.310000000000002 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.74 -31.43 16.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 52.439999999999998 110.9 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.45 -40.55 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 111.064 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -46.86 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 111.136 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -51.67 63.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.866 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.45 -57.51 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.899 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.36 -36.65 22.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 111.113 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -68.82 -37.93 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.905 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.54 -22.91 56.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.530000000000001 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.82 -41.58 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 54.109999999999999 110.903 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.64 -30.16 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 63.200000000000003 111.193 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.5 m80 -103.5 66.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 72.109999999999999 110.82 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -29.07 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 110.816 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -55.89 -33.81 64.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 71.540000000000006 110.829 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 61.119999999999997 110.871 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.3 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.771 0.319 . . . . 74.040000000000006 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 59.19 95.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 44.509999999999998 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -77.86 -71.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 73.099999999999994 110.909 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 p -121.95 97.81 5.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 111.123 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.82 -171.31 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 71.030000000000001 111.167 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -28.87 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 111.137 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.01 -31.04 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.63 -40.32 8.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 73.420000000000002 111.102 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -44.98 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 40.119999999999997 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.6 -52.18 58.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.209999999999994 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -55.45 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.834 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 110.964 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.41 -36.69 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 63.229999999999997 111.108 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -68.85 -37.94 79.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.849 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.5 -22.89 56.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.847 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.93 -41.52 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 50.310000000000002 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.72 -30.13 14.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.5 111.113 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.46 66.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.831 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 m -51.93 -28.99 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 73.439999999999998 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -33.93 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.81 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.08 -30.45 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 32.439999999999998 110.861 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -41.25 83.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.915 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -49.33 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 65.299999999999997 110.928 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.71 -24.4 53.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 71.109999999999999 112.522 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.92 -27.8 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.309 . . . . 64.510000000000005 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.32 -25.45 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.540000000000006 111.12 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -40.33 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.09 -39.76 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.430000000000007 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.62 31.34 20.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.030000000000001 110.842 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -89.48 -26.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 111.155 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -101.7 -27.06 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -106.02 -34.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 71.530000000000001 111.137 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.24 -53.96 3.3 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.631 -0.795 . . . . 74.239999999999995 112.463 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -28.97 29.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 63.420000000000002 110.873 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -52.31 -16.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.040000000000006 110.921 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.36 -48.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 62.219999999999999 111.143 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.63 -92.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 71.049999999999997 110.938 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.521 8.03 0 O-C-N 119.61 -1.931 . . . . 32.259999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 64.329999999999998 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.65 95.74 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 110.84 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -67.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.150000000000006 110.907 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.4 m -110.34 84.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 71.439999999999998 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.58 -170.47 2.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 111.091 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -54.46 -28.32 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 111.143 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.4 m -50.91 -31.13 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.892 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 61.439999999999998 111.084 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -45.08 92.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 70.450000000000003 111.04 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -52.16 59.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 62.140000000000001 110.902 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -55.45 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 61.340000000000003 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.46 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 72.340000000000003 110.853 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.81 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.01 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.8 -37.91 79.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.219999999999999 110.822 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.37 -23.09 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.861 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.88 -41.55 25.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 74.230000000000004 110.928 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.63 -30.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 62.420000000000002 111.155 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.506 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.68 66.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.854 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -29.19 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.340000000000003 110.883 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.8 -33.92 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 73.319999999999993 110.885 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.01 -30.46 15.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 74.310000000000002 110.955 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.05 -41.3 83.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -49.32 7.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 53.049999999999997 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.63 -24.48 53.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.240000000000002 112.583 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.85 -27.89 45.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.648 0.261 . . . . 71.209999999999994 111.059 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.21 -25.54 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.297 -0.41 . . . . 63.229999999999997 111.145 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.67 -40.61 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 110.959 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -87.08 -39.69 15.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 70.430000000000007 110.829 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.76 26.44 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.854 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -73.24 -25.17 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 71.129999999999995 111.263 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -116.4 -26.51 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 75.340000000000003 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.16 -72.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.13 -32.27 75.62 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.751 -0.738 . . . . 51.439999999999998 112.513 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.37 -36.34 53.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.946 0.403 . . . . 64.519999999999996 110.937 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -16.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.99 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -115.7 -38.56 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 45.219999999999999 111.147 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -105.09 37.09 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 74.109999999999999 110.943 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.586 -1.946 . . . . 40.259999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.839 0.352 . . . . 73.120000000000005 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.99 166.0 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 71.519999999999996 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.92 33.31 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 53.340000000000003 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 p -106.64 173.18 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 44.340000000000003 111.155 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.56 -49.47 8.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 62.020000000000003 111.011 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 t -54.43 -30.34 52.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 71.329999999999998 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -31.12 17.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.47 -40.39 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.349999999999994 111.23 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -45.03 92.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.329999999999998 111.143 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.56 -52.11 59.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.54 -63.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.784 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.44 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.31 -36.94 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.095 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -37.86 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.975 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.54 -22.88 56.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.77 -41.65 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 63.43 110.974 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.61 -30.23 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 111.139 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.511 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.66 66.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.846 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -29.18 16.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 64.010000000000005 110.877 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -33.86 65.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 72.319999999999993 110.831 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.05 -30.42 15.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.040000000000006 110.825 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.17 -41.24 78.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 53.539999999999999 110.851 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -87.48 -48.8 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 62.100000000000001 110.824 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.58 -26.58 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 44.25 112.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -27.38 41.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 73.519999999999996 111.097 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.25 -25.78 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 111.1 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -40.36 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 71.129999999999995 110.901 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.1 m -87.02 -40.1 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 64.400000000000006 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.16 33.03 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 44.130000000000003 110.823 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -82.98 -29.63 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 55.310000000000002 111.143 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -108.75 -29.02 8.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 110.961 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.76 -46.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.409999999999997 111.119 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.26 -51.29 7.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.725 . . . . 43.43 112.526 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 1.233 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 3.1 t -54.49 -28.53 45.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 74.420000000000002 110.797 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.49 -16.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.09 -52.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 62.329999999999998 111.117 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -104.15 -13.02 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 62.140000000000001 110.862 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 1.233 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.004 0 O-C-N 119.653 -1.905 . . . . 34.799999999999997 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 72.239999999999995 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 61.07 175.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.030000000000001 110.856 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -155.35 -171.7 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.833 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.29 98.75 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 61.119999999999997 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -173.68 -170.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.350000000000001 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -54.12 -28.93 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 71.430000000000007 111.162 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.02 -31.05 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.59 -40.45 8.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -45.15 91.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 111.157 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.54 -52.14 59.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 65.439999999999998 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -55.53 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.764 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.5 -57.31 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.979 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 111.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -38.02 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 71.219999999999999 110.901 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.32 -22.91 57.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.129999999999995 110.952 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.86 -41.78 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.510000000000005 110.814 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.56 -30.07 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 111.193 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.507 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.82 66.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 74.349999999999994 110.865 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -51.83 -29.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.771 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.9 64.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 60.420000000000002 110.869 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.15 -30.31 16.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.219999999999999 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.11 -41.4 78.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 73.430000000000007 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -87.36 -48.79 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 110.887 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.74 -26.42 57.51 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.731 . . . . 71.040000000000006 112.515 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.99 -27.32 43.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 54.539999999999999 111.091 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.22 -25.81 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 111.165 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.48 -40.53 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 110.956 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -39.97 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 74.530000000000001 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.28 32.48 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 55.009999999999998 110.834 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -75.08 -28.66 60.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 62.240000000000002 111.234 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -113.48 -28.28 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 55.229999999999997 110.886 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -89.14 -50.11 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 65.409999999999997 111.035 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.9 -47.83 11.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 61.299999999999997 112.505 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -52.67 -30.34 31.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 74.310000000000002 110.863 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -52.28 -16.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 73.329999999999998 110.813 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.12 -43.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.299999999999997 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -110.64 -120.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 74.430000000000007 110.884 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.002 0 O-C-N 119.557 -1.965 . . . . 36.149999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.828 0.346 . . . . 61.200000000000003 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -65.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 64.230000000000004 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.14 33.58 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 73.209999999999994 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -143.25 142.17 31.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.246 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.28 72.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 72.299999999999997 111.126 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.3 p -52.08 -34.49 44.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 60.140000000000001 111.137 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.81 -31.24 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.340000000000003 110.872 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 72.400000000000006 111.057 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.82 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 111.124 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.24 -51.77 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 63.5 111.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.32 -63.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.140000000000001 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.4 5.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.129999999999995 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.613 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.26 -36.9 21.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 64.230000000000004 111.091 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -37.88 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 55.420000000000002 110.861 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.55 -22.88 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -41.57 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.8 -30.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 61.229999999999997 111.137 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.58 66.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -51.79 -29.2 18.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 64.340000000000003 110.892 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -55.73 -34.02 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -50.98 -30.54 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 63.140000000000001 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.07 -41.18 82.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 63.119999999999997 110.906 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -87.38 -49.27 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 62.100000000000001 110.916 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.79 -24.45 53.62 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.709 -0.758 . . . . 62.310000000000002 112.457 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.83 -27.81 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 72.120000000000005 111.057 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.28 -25.7 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 64.310000000000002 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.65 -41.02 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.927 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -39.89 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 110.931 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p 53.76 31.62 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 71.519999999999996 110.849 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.4 t -70.06 -29.08 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.146 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -107.12 -28.67 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.25 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 111.172 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.91 95.09 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.726 -0.749 . . . . 61.350000000000001 112.452 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -52.4 -30.8 31.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 65.040000000000006 110.855 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -16.6 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 73.230000000000004 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -39.52 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 60.420000000000002 111.206 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -105.7 58.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.599 -1.938 . . . . 44.390000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.33 . . . . 63.049999999999997 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -119.76 119.43 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 64.219999999999999 110.865 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.73 -72.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 110.847 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -129.96 27.43 5.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 33.420000000000002 111.15 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.33 -170.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 111.03 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -53.92 -28.31 36.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 64.030000000000001 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 t -50.91 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.99 -40.33 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 53.43 111.094 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 63.130000000000003 111.076 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -51.76 61.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.540000000000006 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -55.37 -62.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.843 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.53 -57.36 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 74.409999999999997 110.961 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.82 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 111.056 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -38.05 79.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.858 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.44 -22.88 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 70.010000000000005 110.919 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -79.88 -41.72 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.886 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.53 -30.15 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 73.219999999999999 111.17 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.58 66.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.801 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -29.09 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 70.239999999999995 110.905 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -33.99 64.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 64.319999999999993 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 m120 -50.93 -30.57 15.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 71.099999999999994 110.885 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.06 -41.28 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.510000000000005 110.817 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -49.44 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.822 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.62 -24.53 53.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 45.340000000000003 112.532 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.78 -27.84 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 74.319999999999993 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.26 -25.55 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 62.43 111.135 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.81 -40.63 24.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.89 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.99 -39.45 15.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 43.109999999999999 110.938 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m 63.11 36.29 12.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 60.240000000000002 110.806 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 t -87.24 -27.83 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 73.209999999999994 111.162 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -104.0 -29.07 11.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.55 -52.22 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.049999999999997 111.195 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.85 33.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.666 -0.778 . . . . 62.539999999999999 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.689 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 4.6 t -52.9 -30.87 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 71.120000000000005 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.2 -16.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 74.140000000000001 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 -41.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 111.154 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -115.45 18.28 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.883 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.689 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.983 0 O-C-N 119.58 -1.95 . . . . 46.25 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -158.11 173.2 17.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 65.519999999999996 110.928 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.79 -170.34 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 55.229999999999997 110.894 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 m -55.62 100.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.133 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.8 -169.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 73.310000000000002 111.088 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -54.41 -27.57 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 53.399999999999999 111.146 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -31.05 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.13 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 51.130000000000003 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -45.89 89.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.179 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.23 -51.8 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 71.209999999999994 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.25 -63.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 71.510000000000005 110.868 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.32 5.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 73.219999999999999 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.79 22.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.154 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -37.92 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 110.91 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.41 -22.88 57.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.96 -41.59 25.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.64 -30.15 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 41.210000000000001 111.098 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.4 m80 -103.57 65.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.430000000000007 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -29.13 17.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 53.43 110.867 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -33.86 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.450000000000003 110.833 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.04 -30.59 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 110.859 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.99 -41.21 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 110.928 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -87.44 -49.35 7.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 72.150000000000006 110.865 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.59 -24.58 53.23 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.643 -0.789 . . . . 72.129999999999995 112.517 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.73 -27.83 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 72.310000000000002 111.123 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 -25.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 72.450000000000003 111.167 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -40.62 25.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 65.329999999999998 110.989 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -87.11 -39.92 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.219999999999999 110.831 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p 57.4 26.91 13.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.781 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -70.61 -28.26 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.239999999999995 111.137 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' OD1' HG23 ' A' ' 32' ' ' VAL . 3.5 p-10 -111.44 -29.71 7.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 50.240000000000002 110.814 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG23 ' OD1' ' A' ' 31' ' ' ASN . 22.0 t -89.98 -50.39 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 111.151 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.83 -49.29 29.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.821 -0.704 . . . . 70.310000000000002 112.501 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -54.26 -28.32 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 60.43 110.837 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -52.27 -16.66 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 52.329999999999998 110.913 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -46.3 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 74.549999999999997 111.209 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -95.77 -138.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 73.129999999999995 110.847 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.999 0 O-C-N 119.524 -1.985 . . . . 35.579999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.728 0.299 . . . . 54.229999999999997 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.8 p -169.79 -176.53 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 43.240000000000002 110.839 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.75 -67.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 62.329999999999998 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -170.83 37.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 75.450000000000003 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.61 -66.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 72.030000000000001 111.13 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -52.92 -29.08 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 73.319999999999993 111.114 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.1 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.906 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.0 -40.34 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 65.420000000000002 111.085 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -46.02 88.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 65.129999999999995 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.25 -51.67 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -55.3 -63.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 74.25 110.838 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.36 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.39 -36.73 22.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 35.140000000000001 111.132 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.549999999999997 110.871 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.44 -22.86 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.95 -41.66 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.61 -30.1 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 53.210000000000001 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.59 66.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.924 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -51.94 -29.06 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 71.030000000000001 110.899 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -55.81 -33.97 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 34.310000000000002 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 m120 -51.0 -30.56 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 71.109999999999999 110.837 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.93 -41.3 82.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 63.100000000000001 110.953 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -87.43 -49.41 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.329999999999998 110.838 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.52 52.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.803 -0.713 . . . . 70.129999999999995 112.487 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.88 -27.79 45.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 75.329999999999998 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 -25.45 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.153 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -40.96 25.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 64.430000000000007 110.97 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -86.99 -39.54 15.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 75.510000000000005 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.55 26.51 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.835 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -68.98 -27.2 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 34.149999999999999 111.212 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -117.74 -29.89 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -83.8 -72.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 111.094 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.38 70.88 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.652 -0.785 . . . . 72.340000000000003 112.521 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -52.45 -36.33 54.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.353 . . . . 70.430000000000007 110.742 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -52.29 -16.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 64.430000000000007 110.896 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -114.93 -48.72 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 60.130000000000003 111.172 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -105.16 46.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.861 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.999 0 O-C-N 119.614 -1.929 . . . . 41.219999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.878 0.371 . . . . 75.349999999999994 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.3 t -94.15 118.61 31.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 61.420000000000002 110.939 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.75 -55.73 1.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 71.510000000000005 110.994 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 t 179.41 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 71.230000000000004 111.2 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.11 -71.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 74.230000000000004 111.121 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -53.71 -32.26 51.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.108 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -50.91 -31.11 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 52.43 110.911 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.44 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 72.030000000000001 111.144 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -44.97 92.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 42.030000000000001 111.136 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.55 -52.26 58.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.430000000000007 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -55.37 -63.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.906 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.46 -57.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.43 -36.76 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.191 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -68.7 -37.95 79.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.519999999999996 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.46 -22.94 56.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.884 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.77 -41.76 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 110.816 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.5 p -78.62 -30.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 75.299999999999997 111.15 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.52 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.812 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -51.73 -29.02 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 64.040000000000006 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -55.99 -33.87 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 73.5 110.85 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.03 -30.41 15.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 63.020000000000003 110.897 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.13 -41.31 78.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.941 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -87.56 -48.71 7.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 71.439999999999998 110.792 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.59 -26.88 57.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 61.100000000000001 112.479 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.54 -27.31 37.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.711 0.291 . . . . 40.549999999999997 111.045 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.25 -26.92 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 71.230000000000004 111.142 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.64 -43.25 32.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 53.140000000000001 110.951 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -38.67 16.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.509999999999998 110.854 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m 57.76 53.55 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.340000000000003 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -85.92 -25.06 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 72.400000000000006 111.107 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -111.53 -26.35 9.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.319999999999993 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.84 -32.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.530000000000001 111.16 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -57.68 2.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 51.310000000000002 112.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -29.44 43.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 53.539999999999999 110.832 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.25 -16.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 53.450000000000003 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -39.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -104.18 65.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 110.932 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.603 -1.936 . . . . 42.350000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.848 0.356 . . . . 43.25 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m 55.26 77.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.150000000000006 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -97.01 35.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.919 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.47 158.56 43.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 44.130000000000003 111.125 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.11 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.138 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -53.59 -34.93 60.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.510000000000005 111.12 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -31.04 16.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 62.329999999999998 110.889 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.24 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 54.420000000000002 111.083 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -45.91 89.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 70.219999999999999 111.221 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.29 -51.71 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -55.37 -63.12 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.35 -57.42 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 42.229999999999997 111.053 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.58 -38.04 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.120000000000005 110.922 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.43 -22.97 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.73 -41.71 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.57 -30.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.5 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.506 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.52 66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.796 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t -51.9 -28.97 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -33.88 65.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.82 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.07 -30.42 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 65.299999999999997 110.963 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.06 -41.28 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 63.340000000000003 110.94 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -87.43 -48.78 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 52.43 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.29 57.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 74.230000000000004 112.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.19 43.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.687 0.28 . . . . 72.120000000000005 111.08 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.39 -25.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 53.439999999999998 111.087 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.34 -40.37 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 110.909 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -87.0 -39.09 15.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 65.040000000000006 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.0 40.79 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 64.530000000000001 110.893 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -84.78 -25.15 28.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 75.030000000000001 111.134 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -108.71 -26.56 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 64.129999999999995 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.4 -33.8 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 111.181 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.75 -46.43 5.43 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 51.130000000000003 112.51 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 p -51.95 -33.56 38.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 63.219999999999999 110.917 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.35 -16.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 63.509999999999998 110.825 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.0 m -119.03 -43.63 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.230000000000004 111.161 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -94.18 -140.32 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 74.420000000000002 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.005 0 O-C-N 119.544 -1.972 . . . . 34.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.83 0.347 . . . . 70.540000000000006 110.849 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m 56.93 91.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -94.83 -38.51 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.299999999999997 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.4 162.88 11.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 73.450000000000003 111.024 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.06 -38.33 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 53.439999999999998 110.993 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 t -52.03 -32.87 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 54.210000000000001 111.152 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -31.16 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.848 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.06 -40.2 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 61.229999999999997 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -45.81 89.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 73.439999999999998 111.169 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.24 -51.78 61.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.943 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.38 -63.08 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.798 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.49 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.88 22.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 111.127 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.64 -37.93 80.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.883 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.55 -22.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.150000000000006 110.837 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.78 -41.7 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 65.150000000000006 110.965 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.6 -30.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 62.520000000000003 111.062 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.47 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 54.420000000000002 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.0 p -51.82 -29.03 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.815 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -55.82 -33.92 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 62.420000000000002 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -51.07 -30.36 15.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 70.409999999999997 110.969 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.27 -41.26 79.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.049999999999997 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -48.69 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.519999999999996 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.61 -26.83 57.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.664 -0.779 . . . . 61.240000000000002 112.504 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.37 -27.34 35.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 74.109999999999999 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.32 -26.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 111.123 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.59 -43.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.019999999999996 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -87.03 -38.55 16.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 63.109999999999999 110.829 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.29 40.47 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 73.5 110.827 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 t -87.61 -26.98 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 62.049999999999997 111.147 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -105.28 -28.91 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.914 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.33 -33.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.299999999999997 111.077 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.69 -54.51 3.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 63.119999999999997 112.525 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 0.6 OUTLIER -53.65 -29.9 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 74.439999999999998 110.819 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -16.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.349999999999994 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 111.112 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -121.95 -58.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.140000000000001 110.826 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.686 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.002 0 O-C-N 119.606 -1.934 . . . . 38.289999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 pttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.784 0.326 . . . . 71.219999999999999 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 139.9 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 110.86 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -72.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 71.510000000000005 110.952 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.78 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 111.101 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.44 -28.03 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 54.149999999999999 111.148 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.8 p -51.91 -30.3 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 51.420000000000002 111.118 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -51.23 -31.46 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.41 5.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 52.420000000000002 111.166 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -46.19 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 52.32 111.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -51.19 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 75.420000000000002 110.841 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -63.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 60.030000000000001 110.88 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.59 -57.32 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 70.420000000000002 110.83 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.38 -36.76 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 41.130000000000003 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -38.02 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 62.219999999999999 110.873 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.38 -22.98 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.807 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.78 -41.81 25.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 55.240000000000002 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.5 p -78.53 -30.18 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 74.030000000000001 111.117 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.6 66.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 75.25 110.8 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -29.18 17.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 74.019999999999996 110.843 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -33.77 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 72.25 110.908 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.14 -30.29 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -41.11 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 73.219999999999999 110.812 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -87.63 -48.69 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 72.319999999999993 110.794 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.7 -26.46 57.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.8 -0.714 . . . . 65.140000000000001 112.477 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.04 -27.27 43.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 65.420000000000002 111.103 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.34 -25.68 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.068 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.41 -40.57 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 71.239999999999995 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -87.02 -39.7 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 72.549999999999997 110.88 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.18 38.59 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 70.329999999999998 110.845 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -72.46 -31.05 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 64.239999999999995 111.242 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -111.57 -27.31 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 54.299999999999997 110.831 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.3 t -89.5 -47.75 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 111.147 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.67 -47.75 9.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.725 -0.75 . . . . 63.43 112.496 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.783 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 1.2 t -53.72 -28.68 35.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 53.149999999999999 110.866 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.31 -16.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 64.510000000000005 110.863 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 -44.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.340000000000003 111.072 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.78 -63.84 1.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 60.119999999999997 110.918 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.783 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.564 -1.96 . . . . 35.68 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.76 0.314 . . . . 73.310000000000002 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.98 50.7 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 43.340000000000003 110.864 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -96.0 26.97 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.400000000000006 110.917 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -155.53 44.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 74.510000000000005 111.133 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.83 -169.94 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 73.310000000000002 111.095 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -55.43 -25.64 37.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 75.439999999999998 111.087 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.1 m -51.3 -31.05 20.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 64.140000000000001 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.48 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 53.409999999999997 111.099 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -46.1 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.25 111.191 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -51.15 65.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -63.07 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.58 -57.31 5.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 62.109999999999999 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.28 -36.89 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 111.09 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -38.06 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 70.409999999999997 110.824 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.4 -22.92 57.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 71.019999999999996 110.932 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -79.64 -41.91 25.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 74.109999999999999 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 111.122 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.2 m80 -103.47 66.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.420000000000002 110.837 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m -51.66 -29.08 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -55.97 -33.89 65.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.12 -30.28 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.109999999999999 110.843 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.18 -41.36 79.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.399999999999999 110.827 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -48.77 7.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.73 -26.38 57.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.781 . . . . 74.25 112.538 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.99 -27.26 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 74.200000000000003 111.184 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.26 -25.67 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.319999999999993 111.119 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.8 -40.11 23.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.120000000000005 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -87.11 -39.17 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.35 26.49 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 53.240000000000002 110.831 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -66.71 -25.27 66.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.144 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -108.23 -26.26 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 65.340000000000003 110.923 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.7 t -96.48 -70.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.530000000000001 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.07 -28.07 47.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 65.109999999999999 112.549 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 4.2 t -52.65 -37.21 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 54.130000000000003 110.834 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -52.38 -16.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 64.430000000000007 110.79 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -113.48 -50.43 2.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 73.209999999999994 111.098 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -95.37 -1.49 51.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 110.96 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.825 ' N ' ' O ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.983 0 O-C-N 119.626 -1.921 . . . . 38.939999999999998 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.794 0.331 . . . . 75.109999999999999 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 5' ' ' ALA . 4.8 t -160.76 65.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 43.420000000000002 110.89 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.85 -68.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -108.0 101.14 10.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 63.130000000000003 111.14 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -173.46 -170.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 111.09 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -53.38 -28.37 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.109 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -51.11 -31.03 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 50.439999999999998 110.87 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.52 -40.46 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.137 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.71 92.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 73.239999999999995 111.213 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.84 -52.36 57.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 62.409999999999997 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -62.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.877 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.81 -56.82 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.935 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.45 23.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 42.219999999999999 111.14 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -70.29 -36.95 74.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 74.219999999999999 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -75.89 -21.99 56.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.88 -40.05 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 72.099999999999994 110.899 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.7 p -78.38 -30.84 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 63.420000000000002 111.154 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.88 63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 44.420000000000002 110.817 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -50.42 -31.74 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 54.039999999999999 110.863 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -41.86 67.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.439999999999998 110.96 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.56 -31.22 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 75.140000000000001 110.797 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.79 -43.2 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 64.239999999999995 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.25 -46.43 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 74.510000000000005 110.866 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.42 -24.82 47.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.862 -0.685 . . . . 73.040000000000006 112.435 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.84 -28.67 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.65 0.262 . . . . 71.219999999999999 111.086 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.09 -24.69 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 111.228 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.63 -40.48 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 52.32 110.909 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.89 -39.84 15.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 62.32 110.807 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m 55.21 32.02 17.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 51.130000000000003 110.849 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -87.5 -27.61 22.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 111.112 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -109.13 -28.86 8.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 110.766 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.21 -62.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 54.229999999999997 111.169 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.09 -52.53 43.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 72.420000000000002 112.492 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -30.23 28.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 72.209999999999994 110.828 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.36 -16.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 61.100000000000001 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.6 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.349999999999994 111.229 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -111.02 -75.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.200000000000003 110.894 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.548 -1.97 . . . . 37.340000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 62.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.0 t -153.76 78.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 62.310000000000002 110.893 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -118.12 -56.01 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.789 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.54 149.53 21.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.430000000000007 111.189 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.5 -26.24 63.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 62.149999999999999 111.166 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.3 m -52.36 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 111.108 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.09 -31.02 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.33 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 65.040000000000006 111.056 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -52.26 58.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 75.200000000000003 110.963 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.799 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.99 -56.69 7.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.51 23.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 52.049999999999997 111.089 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -70.3 -36.96 74.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 65.409999999999997 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.77 -22.12 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.73 -40.19 20.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.874 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.7 p -78.47 -30.74 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 111.136 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.476 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.8 m80 -100.92 63.49 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.915 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p -50.39 -31.6 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 50.030000000000001 110.939 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -53.9 -41.85 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.874 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.47 -31.18 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.89 -43.07 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.530000000000001 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.36 -46.39 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 110.858 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.86 48.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 65.450000000000003 112.401 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.86 -28.68 51.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.439999999999998 111.08 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.04 -24.75 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 111.181 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.85 -40.93 19.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.94 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 t -86.95 -37.87 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 44.420000000000002 110.827 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.31 26.59 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.885 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -71.85 -25.09 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -116.63 -26.85 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 62.009999999999998 110.885 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -88.43 -72.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.35 71.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 61.509999999999998 112.493 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.946 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 7.4 t -52.4 -36.64 54.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 72.510000000000005 110.852 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -52.29 -16.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 55.210000000000001 110.9 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -114.71 -51.11 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 73.239999999999995 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -108.76 -45.95 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 74.25 110.988 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.946 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.63 -1.919 . . . . 35.420000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.803 0.335 . . . . 73.200000000000003 110.983 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 m 57.22 88.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 73.519999999999996 110.848 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 57.77 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 74.209999999999994 110.893 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.23 179.83 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 111.162 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.6 -47.63 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 73.219999999999999 111.044 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.5 t -54.84 -29.99 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 75.310000000000002 111.125 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.07 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 33.509999999999998 110.897 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.42 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -44.79 92.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.200000000000003 111.116 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -64.79 -52.37 57.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 71.549999999999997 110.912 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.88 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 110.873 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.9 -56.78 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.894 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.4 -36.58 22.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.239999999999995 111.167 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -37.03 75.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 70.400000000000006 110.95 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -75.86 -22.02 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 74.200000000000003 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.82 -40.1 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.6 p -78.43 -30.77 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 60.329999999999998 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.91 63.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.849 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -31.55 15.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 63.409999999999997 110.822 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.85 67.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 73.010000000000005 110.823 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.55 -31.19 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.842 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.83 -43.16 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 64.299999999999997 110.888 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.26 -46.49 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 62.009999999999998 110.831 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.44 -24.77 47.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 50.520000000000003 112.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.88 -28.69 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 74.349999999999994 111.124 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.03 -24.73 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.450000000000003 111.168 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -40.14 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.120000000000005 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -38.93 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 43.109999999999999 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m 57.87 30.61 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 74.239999999999995 110.856 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -82.54 -29.77 30.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.152 -0.476 . . . . 72.420000000000002 111.091 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -106.68 -29.19 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 70.019999999999996 110.859 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.88 -58.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.5 -52.62 41.65 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.8 -0.714 . . . . 54.240000000000002 112.429 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 1.343 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 3.6 t -54.71 -28.37 47.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 74.109999999999999 110.84 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.27 -16.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 70.219999999999999 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -136.44 -47.95 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 111.176 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -117.98 6.6 12.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.340000000000003 110.975 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 1.343 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.52 -1.987 . . . . 36.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.322 . . . . 75.299999999999997 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.68 126.19 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 65.450000000000003 110.871 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -123.03 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -122.57 28.41 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 45.299999999999997 111.169 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.9 -170.93 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 53.439999999999998 111.107 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -53.55 -27.89 28.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.196 -0.456 . . . . 62.049999999999997 111.163 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.02 -31.03 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.099999999999994 110.886 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.32 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 31.440000000000001 111.051 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -45.14 91.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 72.140000000000001 111.133 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -52.15 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 72.530000000000001 110.873 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 70.099999999999994 110.843 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.93 -56.72 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 72.319999999999993 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.56 -36.47 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 70.230000000000004 111.096 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -36.86 74.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.430000000000007 110.925 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.91 -22.02 56.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.81 -40.1 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 74.150000000000006 110.993 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.7 p -78.36 -30.85 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 111.141 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.83 63.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -50.28 -31.76 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.349999999999994 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 m -53.81 -41.88 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 51.340000000000003 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.49 -31.27 14.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 72.319999999999993 110.915 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.73 -43.22 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.010000000000005 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' O ' HD12 ' A' ' 26' ' ' ILE . 16.2 t80 -87.19 -46.45 9.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 110.89 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.43 -24.89 47.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 74.010000000000005 112.493 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.76 -28.72 50.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 62.350000000000001 111.153 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.06 -24.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 111.103 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.59 -40.97 22.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 64.409999999999997 110.955 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 -38.4 16.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 54.299999999999997 110.885 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.12 29.78 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 72.5 110.834 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -76.33 -30.59 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 73.310000000000002 111.099 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.98 -29.94 9.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 72.450000000000003 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.42 -59.01 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 51.450000000000003 111.161 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.44 -50.59 63.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 65.349999999999994 112.541 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 1.259 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 1.1 p -52.73 -29.69 28.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 72.120000000000005 110.829 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -52.29 -16.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 72.239999999999995 110.905 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.7 -52.46 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 70.549999999999997 111.086 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -100.42 -30.9 11.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.26 -0.427 . . . . 64.120000000000005 110.962 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 1.259 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.598 -1.939 . . . . 31.489999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.875 0.369 . . . . 71.549999999999997 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 55.69 88.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.919 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -81.87 -37.64 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 110.857 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -64.63 155.1 34.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 111.063 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.61 -28.66 36.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 111.135 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -53.74 -31.21 47.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 51.409999999999997 111.169 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.0 -31.13 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 53.310000000000002 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.4 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 111.143 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -44.85 92.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.247 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -52.26 58.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.120000000000005 110.943 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -62.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 73.230000000000004 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.5 tp -47.99 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.934 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.63 -36.46 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.086 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.22 -37.02 74.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 62.409999999999997 110.883 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -75.84 -22.08 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.450000000000003 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.54 -40.34 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 13' ' ' ALA . 5.6 p -78.38 -30.8 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 111.095 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' HG13 ' A' ' 17' ' ' VAL . 75.7 m80 -100.99 66.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 110.877 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -50.47 -31.52 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.868 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -42.03 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 55.210000000000001 110.933 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -50.47 -31.35 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 74.409999999999997 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.52 -43.3 65.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.881 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.24 -46.3 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 75.140000000000001 110.904 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.52 -24.29 46.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 44.409999999999997 112.423 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.9 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 72.530000000000001 111.134 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -80.91 -24.76 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 111.088 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -40.86 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.887 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -86.97 -36.32 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p 58.84 26.41 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 54.140000000000001 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -73.02 -27.93 62.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 74.439999999999998 111.181 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -112.13 -29.76 7.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 71.030000000000001 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.16 -66.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 111.185 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.83 98.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 44.020000000000003 112.433 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 1.05 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 23.3 t -52.95 -30.48 34.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 62.399999999999999 110.859 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -52.32 -16.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 63.119999999999997 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.51 -38.72 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.310000000000002 111.073 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.91 -56.59 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.409999999999997 111.005 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 1.05 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.0 0 O-C-N 119.542 -1.973 . . . . 40.469999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.33 . . . . 71.540000000000006 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -74.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 51.520000000000003 110.85 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.5 t30 52.17 36.24 18.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 74.310000000000002 110.911 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 p -100.98 -73.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 61.43 111.131 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.93 -74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 71.340000000000003 111.147 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -54.09 -38.29 65.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 111.155 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.21 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 43.140000000000001 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.57 -40.6 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 64.319999999999993 111.088 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -46.79 85.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 111.214 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -51.53 63.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -62.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.519999999999996 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.5 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 54.240000000000002 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.37 -36.77 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.119 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.76 -38.03 79.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.838 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.3 -22.98 57.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -79.83 -41.84 25.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 75.430000000000007 110.82 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.6 p -78.54 -30.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.145 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.3 m80 -103.57 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 73.430000000000007 110.842 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -29.21 18.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 43.25 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -33.95 64.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 54.340000000000003 110.885 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -50.94 -30.65 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 63.340000000000003 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.9 -41.25 82.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -87.43 -49.33 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 72.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.78 -24.45 53.54 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.729 -0.748 . . . . 55.329999999999998 112.397 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.74 -27.92 44.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 61.210000000000001 111.114 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.22 -25.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.11 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -40.6 26.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 72.150000000000006 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -87.15 -39.84 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 54.520000000000003 110.834 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p 54.29 32.07 15.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.099999999999994 110.887 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -87.54 -26.47 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 64.109999999999999 111.109 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.8 -29.85 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 71.430000000000007 110.907 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.37 -34.52 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.109999999999999 111.204 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.68 -55.79 3.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 41.409999999999997 112.426 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -27.78 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 71.239999999999995 110.812 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.34 -16.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 73.299999999999997 110.901 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.84 -54.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.177 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -118.4 -100.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.019999999999996 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.006 0 O-C-N 119.605 -1.934 . . . . 38.049999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.828 0.347 . . . . 72.230000000000004 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -171.62 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 32.109999999999999 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 t30 52.11 51.92 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 73.540000000000006 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.8 m -113.0 -73.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 52.450000000000003 111.138 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -176.98 -74.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 61.409999999999997 111.097 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.1 p -52.53 -35.59 53.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 75.310000000000002 111.228 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.74 -31.43 16.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 52.439999999999998 110.9 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.45 -40.55 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 111.064 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -46.86 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 111.136 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -51.67 63.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.866 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.45 -57.51 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.899 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.36 -36.65 22.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 111.113 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -68.82 -37.93 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.905 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.54 -22.91 56.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.530000000000001 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.82 -41.58 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 54.109999999999999 110.903 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 13' ' ' ALA . 4.7 p -78.64 -30.16 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 63.200000000000003 111.193 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' ND1' HG13 ' A' ' 17' ' ' VAL . 74.5 m80 -103.5 66.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 72.109999999999999 110.82 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -29.07 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 110.816 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -55.89 -33.81 64.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 71.540000000000006 110.829 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.02 -30.54 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 61.119999999999997 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.02 -41.33 82.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -87.29 -49.4 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 75.530000000000001 110.862 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.69 -24.5 53.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 62.039999999999999 112.39 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.92 -27.77 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.779 0.324 . . . . 61.43 111.059 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.35 -25.37 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 73.329999999999998 111.217 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.73 -40.74 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 51.109999999999999 110.902 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.97 -39.75 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 51.439999999999998 110.801 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.52 46.12 18.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 74.540000000000006 110.82 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -89.9 -28.15 19.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 70.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -101.18 -30.06 11.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 53.409999999999997 110.866 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.86 -31.71 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 62.549999999999997 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.07 -56.09 2.51 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 63.420000000000002 112.536 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 0.2 OUTLIER -52.76 -29.77 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 70.409999999999997 110.882 -179.737 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -52.28 -16.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.310000000000002 110.868 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -40.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 55.219999999999999 111.119 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -104.0 8.38 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.430000000000007 110.916 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.533 ' N ' ' O ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.001 0 O-C-N 119.595 -1.941 . . . . 45.100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.756 0.313 . . . . 74.239999999999995 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.01 -31.04 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.63 -40.32 8.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 73.420000000000002 111.102 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -44.98 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 40.119999999999997 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.6 -52.18 58.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.209999999999994 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -55.45 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.834 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 110.964 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.41 -36.69 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 63.229999999999997 111.108 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -68.85 -37.94 79.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.849 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.5 -22.89 56.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.847 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.93 -41.52 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 50.310000000000002 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.72 -30.13 14.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.5 111.113 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.46 66.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.831 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 m -51.93 -28.99 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 73.439999999999998 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -33.93 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.81 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 32.439999999999998 110.861 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.832 0.349 . . . . 71.340000000000003 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.4 m -50.91 -31.13 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.892 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 61.439999999999998 111.084 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -45.08 92.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 70.450000000000003 111.04 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -52.16 59.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 62.140000000000001 110.902 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -55.45 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 61.340000000000003 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.46 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 72.340000000000003 110.853 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.81 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.01 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.8 -37.91 79.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.219999999999999 110.822 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.37 -23.09 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.861 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.88 -41.55 25.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 74.230000000000004 110.928 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.706 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.63 -30.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 62.420000000000002 111.155 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.706 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.68 66.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.854 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -29.19 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.340000000000003 110.883 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.8 -33.92 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 73.319999999999993 110.885 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 74.310000000000002 110.955 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 71.329999999999998 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -31.12 17.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.47 -40.39 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.349999999999994 111.23 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -45.03 92.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.329999999999998 111.143 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.56 -52.11 59.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.54 -63.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.784 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.44 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.31 -36.94 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.095 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -37.86 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.975 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.54 -22.88 56.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.77 -41.65 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 63.43 110.974 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.711 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.23 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 111.139 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.711 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.66 66.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.846 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -29.18 16.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 64.010000000000005 110.877 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -33.86 65.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 72.319999999999993 110.831 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.040000000000006 110.825 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.816 0.341 . . . . 71.430000000000007 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.02 -31.05 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.59 -40.45 8.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -45.15 91.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 111.157 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.54 -52.14 59.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 65.439999999999998 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -55.53 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.764 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.5 -57.31 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.979 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 111.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -38.02 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 71.219999999999999 110.901 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.32 -22.91 57.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.129999999999995 110.952 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.86 -41.78 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.510000000000005 110.814 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.56 -30.07 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 111.193 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.707 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.6 m-70 -103.82 66.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 74.349999999999994 110.865 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -51.83 -29.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.771 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.9 64.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 60.420000000000002 110.869 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.219999999999999 110.921 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.869 0.366 . . . . 60.140000000000001 111.137 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.81 -31.24 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.340000000000003 110.872 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 72.400000000000006 111.057 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.82 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 111.124 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.24 -51.77 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 63.5 111.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.32 -63.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.140000000000001 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.4 5.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.129999999999995 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.613 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.26 -36.9 21.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 64.230000000000004 111.091 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -37.88 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 55.420000000000002 110.861 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.55 -22.88 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -41.57 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.8 -30.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 61.229999999999997 111.137 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -51.79 -29.2 18.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 64.340000000000003 110.892 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -55.73 -34.02 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 63.140000000000001 110.864 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 64.030000000000001 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 t -50.91 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.99 -40.33 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 53.43 111.094 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 63.130000000000003 111.076 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -51.76 61.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.540000000000006 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -55.37 -62.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.843 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.53 -57.36 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 74.409999999999997 110.961 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.82 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 111.056 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -38.05 79.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.858 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.44 -22.88 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 70.010000000000005 110.919 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -79.88 -41.72 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.886 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.53 -30.15 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 73.219999999999999 111.17 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.707 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.801 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -29.09 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 70.239999999999995 110.905 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -33.99 64.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 64.319999999999993 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 71.099999999999994 110.885 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.865 0.364 . . . . 53.399999999999999 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -31.05 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.13 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 51.130000000000003 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -45.89 89.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.179 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.23 -51.8 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 71.209999999999994 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.25 -63.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 71.510000000000005 110.868 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.32 5.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 73.219999999999999 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.79 22.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.154 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -37.92 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 110.91 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.41 -22.88 57.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.96 -41.59 25.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.15 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 41.210000000000001 111.098 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.57 65.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.430000000000007 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -29.13 17.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 53.43 110.867 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -33.86 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.450000000000003 110.833 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 110.859 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 73.319999999999993 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.1 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.906 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.0 -40.34 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 65.420000000000002 111.085 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -46.02 88.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 65.129999999999995 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.25 -51.67 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -55.3 -63.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 74.25 110.838 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.36 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.39 -36.73 22.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 35.140000000000001 111.132 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.549999999999997 110.871 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.44 -22.86 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.95 -41.66 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.1 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 53.210000000000001 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.59 66.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.924 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -51.94 -29.06 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 71.030000000000001 110.899 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -55.81 -33.97 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 34.310000000000002 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 71.109999999999999 110.837 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.377 . . . . 72.239999999999995 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -50.91 -31.11 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 52.43 110.911 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.44 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 72.030000000000001 111.144 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -44.97 92.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 42.030000000000001 111.136 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.55 -52.26 58.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.430000000000007 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -55.37 -63.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.906 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.46 -57.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.43 -36.76 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.191 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -68.7 -37.95 79.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.519999999999996 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.46 -22.94 56.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.884 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.77 -41.76 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 110.816 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.701 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.62 -30.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 75.299999999999997 111.15 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.701 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.812 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -51.73 -29.02 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 64.040000000000006 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -55.99 -33.87 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 73.5 110.85 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 63.020000000000003 110.897 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.81 0.338 . . . . 74.510000000000005 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -31.04 16.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 62.329999999999998 110.889 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.24 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 54.420000000000002 111.083 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -45.91 89.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 70.219999999999999 111.221 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.29 -51.71 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -55.37 -63.12 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.35 -57.42 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 42.229999999999997 111.053 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.58 -38.04 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.120000000000005 110.922 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.43 -22.97 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.73 -41.71 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.57 -30.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.5 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.796 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t -51.9 -28.97 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -33.88 65.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.82 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 65.299999999999997 110.963 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.898 0.38 . . . . 54.210000000000001 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -31.16 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.848 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.06 -40.2 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 61.229999999999997 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -45.81 89.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 73.439999999999998 111.169 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.24 -51.78 61.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.943 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.38 -63.08 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.798 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.49 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.88 22.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 111.127 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.64 -37.93 80.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.883 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.55 -22.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.150000000000006 110.837 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.78 -41.7 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 65.150000000000006 110.965 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.708 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.6 -30.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 62.520000000000003 111.062 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.708 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 54.420000000000002 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.0 p -51.82 -29.03 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.815 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -55.82 -33.92 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 62.420000000000002 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 70.409999999999997 110.969 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.851 0.358 . . . . 51.420000000000002 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -51.23 -31.46 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.41 5.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 52.420000000000002 111.166 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -46.19 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 52.32 111.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -51.19 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 75.420000000000002 110.841 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -63.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 60.030000000000001 110.88 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.59 -57.32 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 70.420000000000002 110.83 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.38 -36.76 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 41.130000000000003 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -38.02 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 62.219999999999999 110.873 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.38 -22.98 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.807 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.78 -41.81 25.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 55.240000000000002 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.53 -30.18 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 74.030000000000001 111.117 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.704 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.6 66.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 75.25 110.8 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -29.18 17.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 74.019999999999996 110.843 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -33.77 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 72.25 110.908 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.948 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.802 0.334 . . . . 75.439999999999998 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.1 m -51.3 -31.05 20.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 64.140000000000001 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.48 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 53.409999999999997 111.099 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -46.1 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.25 111.191 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -51.15 65.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -63.07 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.58 -57.31 5.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 62.109999999999999 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.28 -36.89 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 111.09 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -38.06 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 70.409999999999997 110.824 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.4 -22.92 57.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 71.019999999999996 110.932 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -79.64 -41.91 25.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 74.109999999999999 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.702 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 111.122 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.702 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.420000000000002 110.837 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m -51.66 -29.08 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -55.97 -33.89 65.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.109999999999999 110.843 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 74.129999999999995 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -51.11 -31.03 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 50.439999999999998 110.87 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.52 -40.46 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.137 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.71 92.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 73.239999999999995 111.213 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.84 -52.36 57.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 62.409999999999997 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -62.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.877 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.81 -56.82 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.935 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.45 23.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 42.219999999999999 111.14 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -70.29 -36.95 74.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 74.219999999999999 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -75.89 -21.99 56.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.88 -40.05 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 72.099999999999994 110.899 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.684 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.38 -30.84 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 63.420000000000002 111.154 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.2 m-70 -100.88 63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 44.420000000000002 110.817 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -50.42 -31.74 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 54.039999999999999 110.863 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -41.86 67.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.439999999999998 110.96 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 75.140000000000001 110.797 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.862 0.363 . . . . 71.519999999999996 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.09 -31.02 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.33 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 65.040000000000006 111.056 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -52.26 58.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 75.200000000000003 110.963 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.799 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.99 -56.69 7.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.51 23.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 52.049999999999997 111.089 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -70.3 -36.96 74.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 65.409999999999997 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.77 -22.12 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.73 -40.19 20.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.874 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.676 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.47 -30.74 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 111.136 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.92 63.49 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.915 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p -50.39 -31.6 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 50.030000000000001 110.939 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -53.9 -41.85 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.874 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.925 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 75.310000000000002 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.07 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 33.509999999999998 110.897 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.42 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -44.79 92.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.200000000000003 111.116 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -64.79 -52.37 57.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 71.549999999999997 110.912 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.88 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 110.873 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.9 -56.78 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.894 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.4 -36.58 22.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.239999999999995 111.167 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -37.03 75.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 70.400000000000006 110.95 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -75.86 -22.02 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 74.200000000000003 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.82 -40.1 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.43 -30.77 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 60.329999999999998 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.91 63.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.849 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -31.55 15.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 63.409999999999997 110.822 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.85 67.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 73.010000000000005 110.823 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.842 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.751 0.31 . . . . 62.049999999999997 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.02 -31.03 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.099999999999994 110.886 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.32 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 31.440000000000001 111.051 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -45.14 91.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 72.140000000000001 111.133 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -52.15 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 72.530000000000001 110.873 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 70.099999999999994 110.843 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.93 -56.72 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 72.319999999999993 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.56 -36.47 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 70.230000000000004 111.096 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -36.86 74.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.430000000000007 110.925 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.91 -22.02 56.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.81 -40.1 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 74.150000000000006 110.993 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.36 -30.85 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 111.141 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.83 63.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -50.28 -31.76 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.349999999999994 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 m -53.81 -41.88 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 51.340000000000003 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 72.319999999999993 110.915 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.9 0.381 . . . . 51.409999999999997 111.169 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.0 -31.13 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 53.310000000000002 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.4 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 111.143 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -44.85 92.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.247 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -52.26 58.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.120000000000005 110.943 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -62.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 73.230000000000004 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.5 tp -47.99 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.934 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.63 -36.46 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.086 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.22 -37.02 74.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 62.409999999999997 110.883 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -75.84 -22.08 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.450000000000003 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.54 -40.34 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.684 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.38 -30.8 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 111.095 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.99 66.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 110.877 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -50.47 -31.52 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.868 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -42.03 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 55.210000000000001 110.933 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 74.409999999999997 110.808 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.888 0.375 . . . . 74.109999999999999 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.21 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 43.140000000000001 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.57 -40.6 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 64.319999999999993 111.088 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -46.79 85.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 111.214 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -51.53 63.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -62.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.519999999999996 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.5 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 54.240000000000002 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.37 -36.77 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.119 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.76 -38.03 79.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.838 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.3 -22.98 57.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -79.83 -41.84 25.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 75.430000000000007 110.82 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.54 -30.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.145 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.57 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 73.430000000000007 110.842 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -29.21 18.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 43.25 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -33.95 64.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 54.340000000000003 110.885 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 63.340000000000003 110.877 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.1 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.915 0.388 . . . . 75.310000000000002 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.74 -31.43 16.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 52.439999999999998 110.9 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.45 -40.55 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 111.064 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -46.86 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 111.136 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -51.67 63.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.866 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.45 -57.51 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.899 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.36 -36.65 22.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 111.113 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -68.82 -37.93 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.905 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.54 -22.91 56.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.530000000000001 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.82 -41.58 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 54.109999999999999 110.903 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.16 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 63.200000000000003 111.193 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.5 66.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 72.109999999999999 110.82 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -29.07 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 110.816 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -55.89 -33.81 64.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 71.540000000000006 110.829 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 61.119999999999997 110.871 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.3 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.771 0.319 . . . . 74.040000000000006 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 59.19 95.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 44.509999999999998 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -77.86 -71.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 73.099999999999994 110.909 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 p -121.95 97.81 5.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 111.123 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.82 -171.31 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 71.030000000000001 111.167 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -28.87 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 111.137 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.4 m -51.01 -31.04 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.63 -40.32 8.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 73.420000000000002 111.102 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -44.98 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 40.119999999999997 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.6 -52.18 58.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.209999999999994 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -55.45 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.834 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 110.964 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.41 -36.69 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 63.229999999999997 111.108 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -68.85 -37.94 79.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.849 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.5 -22.89 56.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.847 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.93 -41.52 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 50.310000000000002 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.72 -30.13 14.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.5 111.113 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.46 66.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.831 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 m -51.93 -28.99 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 73.439999999999998 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -33.93 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.81 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.08 -30.45 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 32.439999999999998 110.861 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -41.25 83.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.915 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -49.33 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 65.299999999999997 110.928 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.71 -24.4 53.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 71.109999999999999 112.522 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.92 -27.8 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.309 . . . . 64.510000000000005 111.038 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.32 -25.45 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.540000000000006 111.12 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -40.33 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.09 -39.76 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.430000000000007 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.62 31.34 20.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.030000000000001 110.842 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -89.48 -26.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 111.155 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -101.7 -27.06 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -106.02 -34.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 71.530000000000001 111.137 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.24 -53.96 3.3 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.631 -0.795 . . . . 74.239999999999995 112.463 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -28.97 29.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 63.420000000000002 110.873 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -52.31 -16.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.040000000000006 110.921 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.36 -48.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 62.219999999999999 111.143 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.63 -92.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 71.049999999999997 110.938 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.521 8.03 0 O-C-N 119.61 -1.931 . . . . 32.259999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 64.329999999999998 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.65 95.74 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 110.84 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -67.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.150000000000006 110.907 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.4 m -110.34 84.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 71.439999999999998 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.58 -170.47 2.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 111.091 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -54.46 -28.32 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 111.143 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.4 m -50.91 -31.13 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.892 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 61.439999999999998 111.084 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -45.08 92.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 70.450000000000003 111.04 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -52.16 59.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 62.140000000000001 110.902 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -55.45 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 61.340000000000003 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.46 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 72.340000000000003 110.853 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.81 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.01 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.8 -37.91 79.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.219999999999999 110.822 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.37 -23.09 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.861 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.88 -41.55 25.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 74.230000000000004 110.928 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.706 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.63 -30.07 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.402 . . . . 62.420000000000002 111.155 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.706 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.68 66.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.854 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -29.19 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.340000000000003 110.883 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.8 -33.92 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 73.319999999999993 110.885 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.01 -30.46 15.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 74.310000000000002 110.955 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.05 -41.3 83.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -49.32 7.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 53.049999999999997 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.63 -24.48 53.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.240000000000002 112.583 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.85 -27.89 45.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.648 0.261 . . . . 71.209999999999994 111.059 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.21 -25.54 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.297 -0.41 . . . . 63.229999999999997 111.145 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.67 -40.61 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 110.959 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -87.08 -39.69 15.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 70.430000000000007 110.829 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.76 26.44 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.854 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -73.24 -25.17 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 71.129999999999995 111.263 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -116.4 -26.51 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 75.340000000000003 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.16 -72.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.13 -32.27 75.62 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.751 -0.738 . . . . 51.439999999999998 112.513 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.37 -36.34 53.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.946 0.403 . . . . 64.519999999999996 110.937 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -16.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.99 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -115.7 -38.56 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 45.219999999999999 111.147 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -105.09 37.09 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 74.109999999999999 110.943 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.586 -1.946 . . . . 40.259999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.839 0.352 . . . . 73.120000000000005 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.99 166.0 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 71.519999999999996 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -138.92 33.31 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 53.340000000000003 110.893 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 p -106.64 173.18 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 44.340000000000003 111.155 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.56 -49.47 8.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 62.020000000000003 111.011 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 t -54.43 -30.34 52.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 71.329999999999998 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -31.12 17.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.47 -40.39 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.349999999999994 111.23 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -45.03 92.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.329999999999998 111.143 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.56 -52.11 59.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.54 -63.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.784 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.44 -57.44 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.31 -36.94 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.095 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -37.86 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.975 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.54 -22.88 56.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.77 -41.65 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 63.43 110.974 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.711 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.23 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 111.139 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.711 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.66 66.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.846 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -29.18 16.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 64.010000000000005 110.877 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -33.86 65.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 72.319999999999993 110.831 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.05 -30.42 15.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.040000000000006 110.825 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.17 -41.24 78.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 53.539999999999999 110.851 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -87.48 -48.8 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 62.100000000000001 110.824 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.58 -26.58 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 44.25 112.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -27.38 41.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 73.519999999999996 111.097 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.25 -25.78 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 111.1 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -40.36 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 71.129999999999995 110.901 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.1 m -87.02 -40.1 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 64.400000000000006 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.16 33.03 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 44.130000000000003 110.823 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -82.98 -29.63 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 55.310000000000002 111.143 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -108.75 -29.02 8.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 110.961 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.76 -46.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.409999999999997 111.119 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.26 -51.29 7.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.725 . . . . 43.43 112.526 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 1.233 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 3.1 t -54.49 -28.53 45.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 74.420000000000002 110.797 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.49 -16.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.09 -52.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 62.329999999999998 111.117 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -104.15 -13.02 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 62.140000000000001 110.862 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 1.233 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.004 0 O-C-N 119.653 -1.905 . . . . 34.799999999999997 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 72.239999999999995 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 61.07 175.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.030000000000001 110.856 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -155.35 -171.7 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.833 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.29 98.75 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 61.119999999999997 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -173.68 -170.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.350000000000001 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -54.12 -28.93 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 71.430000000000007 111.162 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.02 -31.05 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.59 -40.45 8.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -45.15 91.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 111.157 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.54 -52.14 59.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 65.439999999999998 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -55.53 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.764 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.5 -57.31 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.979 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 111.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -38.02 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 71.219999999999999 110.901 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.32 -22.91 57.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.129999999999995 110.952 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.86 -41.78 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.510000000000005 110.814 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.56 -30.07 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 111.193 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.707 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.6 m-70 -103.82 66.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 74.349999999999994 110.865 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -51.83 -29.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.771 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.9 64.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 60.420000000000002 110.869 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.15 -30.31 16.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.219999999999999 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.11 -41.4 78.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 73.430000000000007 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -87.36 -48.79 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 110.887 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.74 -26.42 57.51 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.731 . . . . 71.040000000000006 112.515 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.99 -27.32 43.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 54.539999999999999 111.091 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.22 -25.81 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 111.165 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.48 -40.53 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 110.956 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -39.97 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 74.530000000000001 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.28 32.48 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 55.009999999999998 110.834 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -75.08 -28.66 60.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 62.240000000000002 111.234 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -113.48 -28.28 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 55.229999999999997 110.886 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -89.14 -50.11 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 65.409999999999997 111.035 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.9 -47.83 11.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 61.299999999999997 112.505 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -52.67 -30.34 31.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 74.310000000000002 110.863 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -52.28 -16.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 73.329999999999998 110.813 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.12 -43.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.299999999999997 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -110.64 -120.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 74.430000000000007 110.884 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.002 0 O-C-N 119.557 -1.965 . . . . 36.149999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.828 0.346 . . . . 61.200000000000003 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -65.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 64.230000000000004 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.14 33.58 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 73.209999999999994 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -143.25 142.17 31.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.246 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.28 72.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 72.299999999999997 111.126 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.3 p -52.08 -34.49 44.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 60.140000000000001 111.137 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.81 -31.24 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.340000000000003 110.872 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 72.400000000000006 111.057 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.82 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 111.124 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.24 -51.77 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 63.5 111.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.32 -63.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.140000000000001 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.4 5.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.129999999999995 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.613 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.26 -36.9 21.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 64.230000000000004 111.091 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -37.88 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 55.420000000000002 110.861 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.55 -22.88 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -41.57 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.8 -30.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 61.229999999999997 111.137 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -51.79 -29.2 18.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 64.340000000000003 110.892 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -55.73 -34.02 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -50.98 -30.54 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 63.140000000000001 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.07 -41.18 82.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 63.119999999999997 110.906 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -87.38 -49.27 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 62.100000000000001 110.916 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.79 -24.45 53.62 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.709 -0.758 . . . . 62.310000000000002 112.457 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.83 -27.81 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 72.120000000000005 111.057 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.28 -25.7 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 64.310000000000002 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.65 -41.02 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.927 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -39.89 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 110.931 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p 53.76 31.62 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 71.519999999999996 110.849 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.4 t -70.06 -29.08 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.146 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -107.12 -28.67 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.25 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 111.172 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.91 95.09 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.726 -0.749 . . . . 61.350000000000001 112.452 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -52.4 -30.8 31.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 65.040000000000006 110.855 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -16.6 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 73.230000000000004 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -39.52 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 60.420000000000002 111.206 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -105.7 58.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.599 -1.938 . . . . 44.390000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.33 . . . . 63.049999999999997 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -119.76 119.43 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 64.219999999999999 110.865 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.73 -72.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 110.847 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -129.96 27.43 5.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 33.420000000000002 111.15 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.33 -170.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 111.03 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -53.92 -28.31 36.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 64.030000000000001 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 t -50.91 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.99 -40.33 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 53.43 111.094 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 63.130000000000003 111.076 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -51.76 61.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.540000000000006 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -55.37 -62.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.843 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.53 -57.36 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 74.409999999999997 110.961 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.82 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 111.056 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -38.05 79.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.858 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.44 -22.88 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 70.010000000000005 110.919 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -79.88 -41.72 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.886 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.53 -30.15 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 73.219999999999999 111.17 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.707 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.58 66.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.801 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -29.09 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 70.239999999999995 110.905 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -33.99 64.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 64.319999999999993 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 m120 -50.93 -30.57 15.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 71.099999999999994 110.885 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.06 -41.28 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.510000000000005 110.817 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -49.44 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.822 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.62 -24.53 53.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 45.340000000000003 112.532 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.78 -27.84 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 74.319999999999993 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.26 -25.55 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 62.43 111.135 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.81 -40.63 24.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.89 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.99 -39.45 15.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 43.109999999999999 110.938 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m 63.11 36.29 12.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 60.240000000000002 110.806 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 t -87.24 -27.83 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 73.209999999999994 111.162 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -104.0 -29.07 11.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.55 -52.22 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.049999999999997 111.195 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.85 33.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.666 -0.778 . . . . 62.539999999999999 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.689 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 4.6 t -52.9 -30.87 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 71.120000000000005 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.2 -16.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 74.140000000000001 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 -41.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 111.154 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -115.45 18.28 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.883 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.689 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.983 0 O-C-N 119.58 -1.95 . . . . 46.25 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -158.11 173.2 17.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 65.519999999999996 110.928 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -124.79 -170.34 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 55.229999999999997 110.894 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 m -55.62 100.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.133 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.8 -169.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 73.310000000000002 111.088 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -54.41 -27.57 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 53.399999999999999 111.146 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -31.05 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.13 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 51.130000000000003 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -45.89 89.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.179 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.23 -51.8 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 71.209999999999994 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.25 -63.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 71.510000000000005 110.868 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.52 -57.32 5.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 73.219999999999999 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.79 22.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.154 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -37.92 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 110.91 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.41 -22.88 57.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.96 -41.59 25.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.15 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 41.210000000000001 111.098 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.57 65.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.430000000000007 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -29.13 17.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 53.43 110.867 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -33.86 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.450000000000003 110.833 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.04 -30.59 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 110.859 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.99 -41.21 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 110.928 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -87.44 -49.35 7.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 72.150000000000006 110.865 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.59 -24.58 53.23 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.643 -0.789 . . . . 72.129999999999995 112.517 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.73 -27.83 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 72.310000000000002 111.123 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 -25.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 72.450000000000003 111.167 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -40.62 25.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 65.329999999999998 110.989 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -87.11 -39.92 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.219999999999999 110.831 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p 57.4 26.91 13.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.781 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -70.61 -28.26 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.239999999999995 111.137 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' OD1' HG23 ' A' ' 32' ' ' VAL . 3.5 p-10 -111.44 -29.71 7.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 50.240000000000002 110.814 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG23 ' OD1' ' A' ' 31' ' ' ASN . 22.0 t -89.98 -50.39 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 111.151 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.83 -49.29 29.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.821 -0.704 . . . . 70.310000000000002 112.501 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -54.26 -28.32 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 60.43 110.837 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -52.27 -16.66 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 52.329999999999998 110.913 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -46.3 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 74.549999999999997 111.209 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -95.77 -138.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 73.129999999999995 110.847 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.999 0 O-C-N 119.524 -1.985 . . . . 35.579999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.728 0.299 . . . . 54.229999999999997 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.8 p -169.79 -176.53 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 43.240000000000002 110.839 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.75 -67.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 62.329999999999998 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -170.83 37.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 75.450000000000003 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.61 -66.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 72.030000000000001 111.13 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -52.92 -29.08 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 73.319999999999993 111.114 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.1 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.906 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.0 -40.34 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 65.420000000000002 111.085 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -46.02 88.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 65.129999999999995 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.25 -51.67 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -55.3 -63.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 74.25 110.838 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.47 -57.36 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.39 -36.73 22.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 35.140000000000001 111.132 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.549999999999997 110.871 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.44 -22.86 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.95 -41.66 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.61 -30.1 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 53.210000000000001 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.59 66.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.924 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -51.94 -29.06 18.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 71.030000000000001 110.899 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -55.81 -33.97 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 34.310000000000002 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 m120 -51.0 -30.56 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 71.109999999999999 110.837 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.93 -41.3 82.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 63.100000000000001 110.953 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -87.43 -49.41 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.329999999999998 110.838 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.52 52.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.803 -0.713 . . . . 70.129999999999995 112.487 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.88 -27.79 45.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 75.329999999999998 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 -25.45 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.153 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -40.96 25.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 64.430000000000007 110.97 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -86.99 -39.54 15.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 75.510000000000005 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.55 26.51 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.835 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -68.98 -27.2 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 34.149999999999999 111.212 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -117.74 -29.89 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -83.8 -72.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 111.094 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.38 70.88 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.652 -0.785 . . . . 72.340000000000003 112.521 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -52.45 -36.33 54.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.353 . . . . 70.430000000000007 110.742 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -52.29 -16.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 64.430000000000007 110.896 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -114.93 -48.72 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 60.130000000000003 111.172 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -105.16 46.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.861 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.999 0 O-C-N 119.614 -1.929 . . . . 41.219999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.878 0.371 . . . . 75.349999999999994 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.3 t -94.15 118.61 31.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 61.420000000000002 110.939 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.75 -55.73 1.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 71.510000000000005 110.994 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 t 179.41 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 71.230000000000004 111.2 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.11 -71.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 74.230000000000004 111.121 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -53.71 -32.26 51.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.108 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -50.91 -31.11 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 52.43 110.911 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.44 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 72.030000000000001 111.144 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -44.97 92.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 42.030000000000001 111.136 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.55 -52.26 58.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.430000000000007 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -55.37 -63.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.906 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.46 -57.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.43 -36.76 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.191 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -68.7 -37.95 79.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.519999999999996 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.46 -22.94 56.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.884 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.77 -41.76 25.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 110.816 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.701 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.62 -30.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 75.299999999999997 111.15 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.701 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.812 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -51.73 -29.02 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 64.040000000000006 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -55.99 -33.87 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 73.5 110.85 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.03 -30.41 15.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 63.020000000000003 110.897 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.13 -41.31 78.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.941 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -87.56 -48.71 7.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 71.439999999999998 110.792 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.59 -26.88 57.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 61.100000000000001 112.479 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.54 -27.31 37.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.711 0.291 . . . . 40.549999999999997 111.045 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.25 -26.92 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 71.230000000000004 111.142 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.64 -43.25 32.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 53.140000000000001 110.951 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -38.67 16.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.509999999999998 110.854 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m 57.76 53.55 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.340000000000003 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -85.92 -25.06 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 72.400000000000006 111.107 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -111.53 -26.35 9.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.319999999999993 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.84 -32.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.530000000000001 111.16 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -57.68 2.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 51.310000000000002 112.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -29.44 43.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 53.539999999999999 110.832 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.25 -16.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 53.450000000000003 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -39.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -104.18 65.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 110.932 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.603 -1.936 . . . . 42.350000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.848 0.356 . . . . 43.25 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m 55.26 77.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.150000000000006 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -97.01 35.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.919 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.47 158.56 43.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 44.130000000000003 111.125 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.11 64.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.138 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -53.59 -34.93 60.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.510000000000005 111.12 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -31.04 16.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 62.329999999999998 110.889 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.11 -40.24 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 54.420000000000002 111.083 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -45.91 89.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 70.219999999999999 111.221 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.29 -51.71 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -55.37 -63.12 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.35 -57.42 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.34 -36.9 22.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 42.229999999999997 111.053 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -68.58 -38.04 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.120000000000005 110.922 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.43 -22.97 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.73 -41.71 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.57 -30.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.5 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.703 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.52 66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.796 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t -51.9 -28.97 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -33.88 65.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.82 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.07 -30.42 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 65.299999999999997 110.963 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.06 -41.28 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 63.340000000000003 110.94 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -87.43 -48.78 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 52.43 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.29 57.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 74.230000000000004 112.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.19 43.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.687 0.28 . . . . 72.120000000000005 111.08 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.39 -25.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 53.439999999999998 111.087 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.34 -40.37 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 110.909 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -87.0 -39.09 15.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 65.040000000000006 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.0 40.79 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 64.530000000000001 110.893 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -84.78 -25.15 28.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 75.030000000000001 111.134 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -108.71 -26.56 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 64.129999999999995 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.4 -33.8 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 111.181 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.75 -46.43 5.43 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.788 -0.72 . . . . 51.130000000000003 112.51 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 p -51.95 -33.56 38.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 63.219999999999999 110.917 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.35 -16.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 63.509999999999998 110.825 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.0 m -119.03 -43.63 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.230000000000004 111.161 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -94.18 -140.32 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 74.420000000000002 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.005 0 O-C-N 119.544 -1.972 . . . . 34.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.83 0.347 . . . . 70.540000000000006 110.849 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m 56.93 91.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -94.83 -38.51 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.299999999999997 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.4 162.88 11.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 73.450000000000003 111.024 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.06 -38.33 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 53.439999999999998 110.993 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 t -52.03 -32.87 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 54.210000000000001 111.152 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -31.16 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.848 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.06 -40.2 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 61.229999999999997 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -45.81 89.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 73.439999999999998 111.169 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.24 -51.78 61.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.943 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.38 -63.08 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.798 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.49 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.33 -36.88 22.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 111.127 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -68.64 -37.93 80.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.883 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -75.55 -22.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.150000000000006 110.837 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.78 -41.7 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 65.150000000000006 110.965 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.708 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.6 -30.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 62.520000000000003 111.062 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.708 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 54.420000000000002 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.0 p -51.82 -29.03 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.815 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -55.82 -33.92 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 62.420000000000002 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -51.07 -30.36 15.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 70.409999999999997 110.969 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.27 -41.26 79.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.049999999999997 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -48.69 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.519999999999996 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.61 -26.83 57.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.664 -0.779 . . . . 61.240000000000002 112.504 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.37 -27.34 35.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 74.109999999999999 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.32 -26.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 111.123 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.59 -43.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.019999999999996 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -87.03 -38.55 16.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 63.109999999999999 110.829 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.29 40.47 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 73.5 110.827 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 t -87.61 -26.98 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 62.049999999999997 111.147 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -105.28 -28.91 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.914 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.33 -33.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.299999999999997 111.077 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.69 -54.51 3.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 63.119999999999997 112.525 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 0.6 OUTLIER -53.65 -29.9 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 74.439999999999998 110.819 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -16.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.349999999999994 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 111.112 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -121.95 -58.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.140000000000001 110.826 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.686 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.002 0 O-C-N 119.606 -1.934 . . . . 38.289999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 pttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.784 0.326 . . . . 71.219999999999999 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 139.9 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 110.86 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -72.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 71.510000000000005 110.952 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.78 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 111.101 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.44 -28.03 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 54.149999999999999 111.148 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.8 p -51.91 -30.3 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 51.420000000000002 111.118 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -51.23 -31.46 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.41 5.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 52.420000000000002 111.166 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -46.19 89.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 52.32 111.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -51.19 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 75.420000000000002 110.841 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -63.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 60.030000000000001 110.88 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.59 -57.32 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 70.420000000000002 110.83 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.38 -36.76 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 41.130000000000003 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -38.02 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 62.219999999999999 110.873 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.38 -22.98 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.807 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.78 -41.81 25.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 55.240000000000002 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.5 p -78.53 -30.18 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 74.030000000000001 111.117 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.704 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.6 66.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 75.25 110.8 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -29.18 17.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 74.019999999999996 110.843 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -33.77 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 72.25 110.908 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.14 -30.29 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -41.11 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 73.219999999999999 110.812 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -87.63 -48.69 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 72.319999999999993 110.794 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.7 -26.46 57.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.8 -0.714 . . . . 65.140000000000001 112.477 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.04 -27.27 43.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 65.420000000000002 111.103 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.34 -25.68 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.068 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.41 -40.57 26.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 71.239999999999995 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -87.02 -39.7 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 72.549999999999997 110.88 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.18 38.59 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 70.329999999999998 110.845 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -72.46 -31.05 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 64.239999999999995 111.242 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -111.57 -27.31 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 54.299999999999997 110.831 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.3 t -89.5 -47.75 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 111.147 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.67 -47.75 9.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.725 -0.75 . . . . 63.43 112.496 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.783 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 1.2 t -53.72 -28.68 35.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 53.149999999999999 110.866 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.31 -16.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 64.510000000000005 110.863 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 -44.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.340000000000003 111.072 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.78 -63.84 1.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 60.119999999999997 110.918 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.783 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.564 -1.96 . . . . 35.68 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.76 0.314 . . . . 73.310000000000002 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.98 50.7 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 43.340000000000003 110.864 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -96.0 26.97 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.400000000000006 110.917 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -155.53 44.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 74.510000000000005 111.133 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.83 -169.94 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 73.310000000000002 111.095 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -55.43 -25.64 37.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 75.439999999999998 111.087 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.1 m -51.3 -31.05 20.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 64.140000000000001 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.48 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 53.409999999999997 111.099 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -46.1 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 63.25 111.191 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -51.15 65.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -63.07 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tp -47.58 -57.31 5.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 62.109999999999999 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.28 -36.89 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 111.09 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -38.06 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 70.409999999999997 110.824 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -75.4 -22.92 57.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 71.019999999999996 110.932 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -79.64 -41.91 25.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 74.109999999999999 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.702 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.43 -30.45 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 111.122 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.702 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.47 66.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.420000000000002 110.837 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m -51.66 -29.08 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -55.97 -33.89 65.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.12 -30.28 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.109999999999999 110.843 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.18 -41.36 79.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.399999999999999 110.827 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -48.77 7.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.73 -26.38 57.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.781 . . . . 74.25 112.538 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.99 -27.26 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 74.200000000000003 111.184 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.26 -25.67 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.319999999999993 111.119 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.8 -40.11 23.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.120000000000005 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -87.11 -39.17 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.35 26.49 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 53.240000000000002 110.831 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -66.71 -25.27 66.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.144 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -108.23 -26.26 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 65.340000000000003 110.923 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.7 t -96.48 -70.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.530000000000001 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.07 -28.07 47.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 65.109999999999999 112.549 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 4.2 t -52.65 -37.21 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 54.130000000000003 110.834 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -52.38 -16.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 64.430000000000007 110.79 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -113.48 -50.43 2.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 73.209999999999994 111.098 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -95.37 -1.49 51.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 110.96 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.825 ' N ' ' O ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.983 0 O-C-N 119.626 -1.921 . . . . 38.939999999999998 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.794 0.331 . . . . 75.109999999999999 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 5' ' ' ALA . 4.8 t -160.76 65.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 43.420000000000002 110.89 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.85 -68.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -108.0 101.14 10.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 63.130000000000003 111.14 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -173.46 -170.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 111.09 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -53.38 -28.37 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.109 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -51.11 -31.03 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 50.439999999999998 110.87 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.52 -40.46 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.137 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -44.71 92.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 73.239999999999995 111.213 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.84 -52.36 57.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 62.409999999999997 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -62.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 110.877 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.81 -56.82 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.935 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.45 23.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 42.219999999999999 111.14 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -70.29 -36.95 74.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 74.219999999999999 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -75.89 -21.99 56.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.88 -40.05 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 72.099999999999994 110.899 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.684 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.38 -30.84 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 63.420000000000002 111.154 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.2 m-70 -100.88 63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 44.420000000000002 110.817 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -50.42 -31.74 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 54.039999999999999 110.863 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -41.86 67.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.439999999999998 110.96 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.56 -31.22 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 75.140000000000001 110.797 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.79 -43.2 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 64.239999999999995 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.25 -46.43 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 74.510000000000005 110.866 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.42 -24.82 47.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.862 -0.685 . . . . 73.040000000000006 112.435 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.84 -28.67 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.65 0.262 . . . . 71.219999999999999 111.086 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.09 -24.69 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 111.228 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.63 -40.48 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 52.32 110.909 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.89 -39.84 15.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 62.32 110.807 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m 55.21 32.02 17.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 51.130000000000003 110.849 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -87.5 -27.61 22.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 111.112 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -109.13 -28.86 8.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 110.766 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.21 -62.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 54.229999999999997 111.169 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.09 -52.53 43.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 72.420000000000002 112.492 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -30.23 28.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 72.209999999999994 110.828 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.36 -16.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 61.100000000000001 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.6 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.349999999999994 111.229 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -111.02 -75.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.200000000000003 110.894 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.548 -1.97 . . . . 37.340000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 62.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.0 t -153.76 78.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 62.310000000000002 110.893 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -118.12 -56.01 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.789 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.54 149.53 21.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.430000000000007 111.189 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.5 -26.24 63.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 62.149999999999999 111.166 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.3 m -52.36 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 111.108 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.09 -31.02 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.33 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 65.040000000000006 111.056 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -52.26 58.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 75.200000000000003 110.963 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -62.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.799 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.99 -56.69 7.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.53 -36.51 23.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 52.049999999999997 111.089 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -70.3 -36.96 74.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 65.409999999999997 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.77 -22.12 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.73 -40.19 20.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.874 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.676 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.47 -30.74 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 111.136 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.92 63.49 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.915 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p -50.39 -31.6 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 50.030000000000001 110.939 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -53.9 -41.85 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.874 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.47 -31.18 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.89 -43.07 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.530000000000001 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.36 -46.39 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 110.858 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.86 48.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 65.450000000000003 112.401 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.86 -28.68 51.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.439999999999998 111.08 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.04 -24.75 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 111.181 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.85 -40.93 19.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.94 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 t -86.95 -37.87 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 44.420000000000002 110.827 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.31 26.59 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.885 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -71.85 -25.09 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -116.63 -26.85 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 62.009999999999998 110.885 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -88.43 -72.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.35 71.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 61.509999999999998 112.493 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.946 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 7.4 t -52.4 -36.64 54.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 72.510000000000005 110.852 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -52.29 -16.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 55.210000000000001 110.9 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -114.71 -51.11 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 73.239999999999995 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -108.76 -45.95 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 74.25 110.988 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.946 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.63 -1.919 . . . . 35.420000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.803 0.335 . . . . 73.200000000000003 110.983 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 m 57.22 88.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 73.519999999999996 110.848 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 57.77 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 74.209999999999994 110.893 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.23 179.83 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 111.162 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.6 -47.63 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 73.219999999999999 111.044 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.5 t -54.84 -29.99 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 75.310000000000002 111.125 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -31.07 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 33.509999999999998 110.897 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.62 -40.42 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -44.79 92.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.200000000000003 111.116 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -64.79 -52.37 57.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 71.549999999999997 110.912 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.88 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 110.873 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.9 -56.78 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.894 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.4 -36.58 22.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.239999999999995 111.167 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -37.03 75.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 70.400000000000006 110.95 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -75.86 -22.02 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 74.200000000000003 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.82 -40.1 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.43 -30.77 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 60.329999999999998 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.91 63.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.849 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -31.55 15.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 63.409999999999997 110.822 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.85 67.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 73.010000000000005 110.823 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.55 -31.19 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.842 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.83 -43.16 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 64.299999999999997 110.888 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.26 -46.49 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 62.009999999999998 110.831 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.44 -24.77 47.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 50.520000000000003 112.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.88 -28.69 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 74.349999999999994 111.124 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.03 -24.73 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.450000000000003 111.168 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -40.14 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.120000000000005 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -38.93 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 43.109999999999999 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m 57.87 30.61 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 74.239999999999995 110.856 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -82.54 -29.77 30.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.152 -0.476 . . . . 72.420000000000002 111.091 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -106.68 -29.19 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 70.019999999999996 110.859 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.88 -58.43 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.5 -52.62 41.65 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.8 -0.714 . . . . 54.240000000000002 112.429 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 1.343 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 3.6 t -54.71 -28.37 47.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 74.109999999999999 110.84 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.27 -16.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 70.219999999999999 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -136.44 -47.95 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 111.176 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -117.98 6.6 12.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.340000000000003 110.975 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 1.343 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.007 0 O-C-N 119.52 -1.987 . . . . 36.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.322 . . . . 75.299999999999997 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.68 126.19 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 65.450000000000003 110.871 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -123.03 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -122.57 28.41 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 45.299999999999997 111.169 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.9 -170.93 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 53.439999999999998 111.107 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -53.55 -27.89 28.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.196 -0.456 . . . . 62.049999999999997 111.163 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.02 -31.03 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.099999999999994 110.886 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.32 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 31.440000000000001 111.051 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -45.14 91.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 72.140000000000001 111.133 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -52.15 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 72.530000000000001 110.873 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 70.099999999999994 110.843 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -47.93 -56.72 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 72.319999999999993 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.56 -36.47 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 70.230000000000004 111.096 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -36.86 74.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 64.430000000000007 110.925 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -75.91 -22.02 56.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.81 -40.1 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 74.150000000000006 110.993 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.7 p -78.36 -30.85 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 111.141 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.68 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.83 63.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -50.28 -31.76 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.349999999999994 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 m -53.81 -41.88 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 51.340000000000003 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -50.49 -31.27 14.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 72.319999999999993 110.915 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.73 -43.22 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.010000000000005 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' O ' HD12 ' A' ' 26' ' ' ILE . 16.2 t80 -87.19 -46.45 9.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 110.89 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.43 -24.89 47.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 74.010000000000005 112.493 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.76 -28.72 50.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 62.350000000000001 111.153 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -81.06 -24.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 111.103 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.59 -40.97 22.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 64.409999999999997 110.955 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 -38.4 16.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 54.299999999999997 110.885 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.12 29.78 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 72.5 110.834 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -76.33 -30.59 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 73.310000000000002 111.099 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.98 -29.94 9.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 72.450000000000003 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.42 -59.01 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 51.450000000000003 111.161 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.44 -50.59 63.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 65.349999999999994 112.541 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 1.259 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 1.1 p -52.73 -29.69 28.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 72.120000000000005 110.829 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -52.29 -16.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 72.239999999999995 110.905 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.7 -52.46 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 70.549999999999997 111.086 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -100.42 -30.9 11.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.26 -0.427 . . . . 64.120000000000005 110.962 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 1.259 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 7.991 0 O-C-N 119.598 -1.939 . . . . 31.489999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.875 0.369 . . . . 71.549999999999997 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 55.69 88.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.919 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -81.87 -37.64 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 110.857 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -64.63 155.1 34.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 111.063 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.61 -28.66 36.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 111.135 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -53.74 -31.21 47.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 51.409999999999997 111.169 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.0 -31.13 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 53.310000000000002 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.55 -40.4 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 111.143 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -44.85 92.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.247 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -52.26 58.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.120000000000005 110.943 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -62.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 73.230000000000004 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.5 tp -47.99 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.934 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.63 -36.46 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.086 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.22 -37.02 74.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 62.409999999999997 110.883 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -75.84 -22.08 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.450000000000003 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.54 -40.34 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.684 HG13 ' CD2' ' A' ' 18' ' ' HIS . 5.6 p -78.38 -30.8 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 111.095 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.684 ' CD2' HG13 ' A' ' 17' ' ' VAL . 94.3 m-70 -100.99 66.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 110.877 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -50.47 -31.52 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.868 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -42.03 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 55.210000000000001 110.933 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -50.47 -31.35 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 74.409999999999997 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -52.52 -43.3 65.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.881 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -87.24 -46.3 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 75.140000000000001 110.904 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.52 -24.29 46.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 44.409999999999997 112.423 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.9 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 72.530000000000001 111.134 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 23' ' ' PHE . 4.3 mp -80.91 -24.76 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 111.088 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -40.86 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.887 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -86.97 -36.32 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p 58.84 26.41 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 54.140000000000001 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -73.02 -27.93 62.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 74.439999999999998 111.181 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -112.13 -29.76 7.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 71.030000000000001 110.932 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.16 -66.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 111.185 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.83 98.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 44.020000000000003 112.433 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 1.05 ' HA ' ' N ' ' A' ' 38' ' ' NH2 . 23.3 t -52.95 -30.48 34.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 62.399999999999999 110.859 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -52.32 -16.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 63.119999999999997 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.51 -38.72 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.310000000000002 111.073 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.91 -56.59 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.409999999999997 111.005 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 1.05 ' N ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.0 0 O-C-N 119.542 -1.973 . . . . 40.469999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.33 . . . . 71.540000000000006 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -74.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 51.520000000000003 110.85 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.5 t30 52.17 36.24 18.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 74.310000000000002 110.911 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 p -100.98 -73.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 61.43 111.131 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.93 -74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 71.340000000000003 111.147 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -54.09 -38.29 65.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 111.155 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.21 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 43.140000000000001 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.57 -40.6 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 64.319999999999993 111.088 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -46.79 85.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 111.214 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -51.53 63.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -62.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.519999999999996 110.924 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.5 -57.35 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 54.240000000000002 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.37 -36.77 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.119 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.76 -38.03 79.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.838 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -75.3 -22.98 57.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -79.83 -41.84 25.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 75.430000000000007 110.82 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.6 p -78.54 -30.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.145 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.705 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.4 m-70 -103.57 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 73.430000000000007 110.842 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -29.21 18.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 43.25 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -33.95 64.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 54.340000000000003 110.885 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -50.94 -30.65 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 63.340000000000003 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.9 -41.25 82.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -87.43 -49.33 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 72.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.78 -24.45 53.54 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.729 -0.748 . . . . 55.329999999999998 112.397 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.74 -27.92 44.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 61.210000000000001 111.114 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.22 -25.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.11 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -40.6 26.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 72.150000000000006 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -87.15 -39.84 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 54.520000000000003 110.834 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 p 54.29 32.07 15.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.099999999999994 110.887 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -87.54 -26.47 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 64.109999999999999 111.109 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -104.8 -29.85 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 71.430000000000007 110.907 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.37 -34.52 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.109999999999999 111.204 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.68 -55.79 3.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 41.409999999999997 112.426 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -27.78 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 71.239999999999995 110.812 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.34 -16.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 73.299999999999997 110.901 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.84 -54.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.177 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -118.4 -100.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.019999999999996 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.52 8.006 0 O-C-N 119.605 -1.934 . . . . 38.049999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.828 0.347 . . . . 72.230000000000004 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -171.62 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 32.109999999999999 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 t30 52.11 51.92 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 73.540000000000006 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.8 m -113.0 -73.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 52.450000000000003 111.138 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -176.98 -74.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 61.409999999999997 111.097 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.1 p -52.53 -35.59 53.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 75.310000000000002 111.228 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.74 -31.43 16.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 52.439999999999998 110.9 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.45 -40.55 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 111.064 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -46.86 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 111.136 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -51.67 63.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -62.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.866 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.45 -57.51 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.899 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -49.36 -36.65 22.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 111.113 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -68.82 -37.93 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.905 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.54 -22.91 56.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.530000000000001 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.82 -41.58 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 54.109999999999999 110.903 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 ' CD2' ' A' ' 18' ' ' HIS . 4.7 p -78.64 -30.16 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 63.200000000000003 111.193 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.699 ' CD2' HG13 ' A' ' 17' ' ' VAL . 95.5 m-70 -103.5 66.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 72.109999999999999 110.82 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -29.07 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 110.816 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -55.89 -33.81 64.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 71.540000000000006 110.829 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 7.6 m120 -51.02 -30.54 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 61.119999999999997 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.02 -41.33 82.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -87.29 -49.4 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 75.530000000000001 110.862 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.69 -24.5 53.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 62.039999999999999 112.39 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -54.92 -27.77 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.779 0.324 . . . . 61.43 111.059 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.35 -25.37 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 73.329999999999998 111.217 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.73 -40.74 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 51.109999999999999 110.902 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.97 -39.75 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 51.439999999999998 110.801 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.52 46.12 18.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 74.540000000000006 110.82 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -89.9 -28.15 19.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 70.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -101.18 -30.06 11.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 53.409999999999997 110.866 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.86 -31.71 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 62.549999999999997 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.07 -56.09 2.51 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 63.420000000000002 112.536 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 0.2 OUTLIER -52.76 -29.77 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 70.409999999999997 110.882 -179.737 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -52.28 -16.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.310000000000002 110.868 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -40.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 55.219999999999999 111.119 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -104.0 8.38 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.430000000000007 110.916 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.533 ' N ' ' O ' ' A' ' 34' ' ' SER . . . . . . . . 1 C--N 1.52 8.001 0 O-C-N 119.595 -1.941 . . . . 45.100000000000001 . . . . . . . . . . 2 2 . 1 stop_ save_