data_5ykk_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 5ykk _Structure_validation_residue.Date_analyzed 2017-10-27 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 ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.831 0.348 . . . . 74.45 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -39.94 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.22 -9.92 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.851 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.4 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.076 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -38.86 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.55 110.878 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -67.01 -27.27 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.087 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.48 120.53 26.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.44 111.189 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 18.32 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 71.52 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -77.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.3 110.878 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.77 -28.93 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.916 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.826 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.03 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 73.23 111.091 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.72 14.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.872 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.11 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 72.21 110.904 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.817 0.342 . . . . 75.24 110.876 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -45.54 -35.18 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 71.12 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -123.51 -10.62 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.868 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -30.18 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 61.23 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -32.92 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -26.66 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.124 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -84.45 120.42 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.115 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 18.26 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.865 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -77.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -28.34 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.24 110.907 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.29 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.7 0.02 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.072 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.41 -17.8 14.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 75.51 111.14 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.781 0.324 . . . . 74.42 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.875 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.9 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.22 63.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.02 111.1 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.79 -33.12 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.883 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.58 -27.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.104 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.85 120.51 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 73.44 111.142 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 17.87 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.888 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -119.62 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.869 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -28.69 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -53.28 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 65.01 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.01 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.41 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -17.76 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.864 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.51 111.136 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.833 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.808 0.337 . . . . 65.13 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -38.13 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.52 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.39 -9.32 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.891 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.12 -28.27 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 73.43 111.097 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -33.1 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.897 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.64 -26.94 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.166 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.84 120.5 26.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.15 111.141 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.82 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 71.25 110.917 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.62 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.946 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -51.11 -28.82 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.2 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.902 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 0.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.23 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.898 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.53 111.089 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.839 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 75.13 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.74 -38.06 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.45 -9.31 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.903 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.21 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 75.35 111.078 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.15 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.69 -26.92 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.134 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.46 26.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.44 111.137 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 17.8 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.49 -77.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 62.55 110.866 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.08 -28.74 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.35 58.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.871 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 0.01 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 72.11 111.131 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -17.74 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.77 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.111 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.02 110.903 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.81 0.338 . . . . 71.44 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.61 -38.2 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.912 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.2 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 63.54 111.14 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.74 -33.2 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.25 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.56 -27.03 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.124 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.51 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.136 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.8 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.875 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -51.02 -28.89 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.9 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.27 59.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 63.45 110.91 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 0.0 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.24 111.095 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.829 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.75 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.149 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.814 0.34 . . . . 74.34 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -43.51 -38.4 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.91 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.49 -9.15 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.85 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.0 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 54.45 111.092 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.04 110.901 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.4 -27.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 61.43 111.129 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.86 121.15 27.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 62.12 111.135 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.61 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.876 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.899 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -18.63 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.35 59.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 73.52 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.23 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.5 -17.76 14.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.859 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.73 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.18 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.872 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 75.52 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.57 -38.24 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.51 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.11 -28.19 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 65.42 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -33.18 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.35 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.59 -27.0 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 71.23 111.133 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.65 120.61 26.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.151 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 20.0 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.886 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -77.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.878 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -51.55 -28.16 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.894 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -53.33 59.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.894 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 0.05 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.34 111.09 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.77 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 71.34 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.68 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.41 111.158 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.35 110.876 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 74.31 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -43.66 -38.13 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.43 -9.31 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.3 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 60.44 111.103 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -33.1 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.924 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.65 -27.02 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.131 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.53 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 75.14 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.86 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.87 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 72.12 110.866 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -28.93 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.877 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.31 59.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.855 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.04 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.21 111.088 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -17.8 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.74 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.147 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 72.52 110.84 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.823 0.344 . . . . 75.22 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -37.99 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.907 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.44 -9.36 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.868 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.39 63.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 61.1 111.103 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -33.11 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.63 -26.94 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.21 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -84.8 120.58 26.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 53.54 111.119 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 18.34 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.91 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.25 -28.59 12.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 63.31 110.896 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.879 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.03 19.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.33 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.45 -17.74 14.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.76 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 75.34 111.169 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 73.12 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.34 . . . . 75.33 110.879 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -40.1 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.942 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.17 -10.05 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.26 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 72.24 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -88.66 -39.01 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.86 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -66.76 -27.2 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 73.14 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 p -84.73 121.17 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.914 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -70.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.906 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -18.67 63.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.54 110.854 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.36 59.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.873 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.02 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 75.32 111.124 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -17.76 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.76 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 75.13 111.127 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 75.5 110.939 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.87 -38.04 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.4 -9.42 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.55 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.31 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 65.13 111.105 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -33.15 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 75.4 110.907 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.6 -27.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.131 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.78 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 73.21 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.74 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.903 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.15 110.918 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -51.09 -28.82 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.23 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.29 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.902 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 0.08 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.76 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.811 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.51 -39.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.169 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 75.23 110.856 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.78 0.324 . . . . 74.14 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.57 -36.07 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.68 -10.38 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.875 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.76 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.43 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -32.97 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -26.77 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.13 111.128 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.94 121.02 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.25 111.107 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 16.68 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.898 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 -70.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.912 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -18.71 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.912 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.38 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.879 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 74.1 111.101 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.78 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 62.12 111.122 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.3 110.876 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.819 0.342 . . . . 74.41 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -38.16 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.895 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.53 -9.28 8.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.9 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.11 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.113 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 -33.28 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.848 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.43 -27.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.086 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 p -84.9 121.17 27.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 64.2 111.152 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 15.66 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.862 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -18.64 63.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 54.11 110.91 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -53.43 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 65.42 110.89 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.02 19.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 70.4 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -17.83 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.814 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.39 -39.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.1 111.116 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.52 110.88 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.804 0.335 . . . . 64.03 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -38.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.5 -9.17 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.879 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.35 63.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.35 111.113 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -33.21 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.49 -27.14 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 75.32 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.76 121.12 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.51 111.165 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 17.39 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.847 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.55 110.9 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -61.54 -18.68 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 61.13 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -53.36 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.01 19.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.51 111.145 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -17.74 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.872 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.73 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.43 111.125 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.84 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.833 0.349 . . . . 74.44 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -38.38 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 74.42 110.941 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.54 -9.16 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 74.13 110.836 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.06 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.134 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -33.26 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.9 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.35 -27.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.14 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -84.87 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.31 111.116 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 15.74 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.02 110.899 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -76.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -18.64 65.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 72.14 110.904 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -53.31 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.911 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.0 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.106 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.58 -17.72 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.815 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.32 110.897 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 75.12 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -38.37 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.966 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.51 -9.15 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.846 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.01 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.145 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -89.09 -33.22 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.46 -27.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.44 111.121 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.33 111.144 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 16.09 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.939 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -76.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -18.74 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 65.13 110.912 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.2 -53.35 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.11 110.874 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.06 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.092 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.899 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.05 111.14 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.872 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.347 . . . . 74.35 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.44 -37.38 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.03 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.01 -9.33 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.91 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.52 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 72.12 111.103 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.51 -33.07 19.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.883 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.42 -26.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.44 111.166 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -85.01 120.5 26.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 65.15 111.078 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.76 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.92 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.915 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -28.72 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.3 110.94 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -53.38 58.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 75.15 110.886 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.01 111.135 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.74 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.56 -39.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.115 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.854 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.758 0.313 . . . . 73.02 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.48 -38.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CD2' HG12 ' A' ' 9' ' ' ILE . 1.7 t80 -123.01 -7.88 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 60.33 111.105 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -34.79 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' CD2' ' A' ' 6' ' ' PHE . 1.1 pp -71.15 -27.1 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 61.44 111.146 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.94 120.4 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 60.1 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 14.72 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.85 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -77.48 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 73.34 110.917 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.25 -30.02 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.907 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -53.33 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.918 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -0.04 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 53.13 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 -17.79 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.83 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 61.44 111.091 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 71.01 110.838 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 74.53 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -38.24 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.879 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.45 -9.34 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.1 63.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 75.05 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -33.25 17.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.45 110.86 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.49 -27.08 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.43 111.122 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.53 120.84 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 71.02 111.115 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 17.09 12.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.885 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -72.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.87 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.59 -24.82 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.23 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -53.34 59.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.846 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.1 19.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.105 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 -17.77 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.842 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.36 -39.83 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 75.23 111.098 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.857 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.871 0.367 . . . . 73.51 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.51 160.67 25.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.637 0.732 . . . . 75.14 110.901 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 149.46 67.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 75.02 112.35 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -118.36 39.24 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.899 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -39.94 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.22 -9.92 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.851 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.4 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.076 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -38.86 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.55 110.878 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -67.01 -27.27 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.087 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.48 120.53 26.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.44 111.189 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 18.32 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 71.52 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -77.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.3 110.878 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.77 -28.93 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.916 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.826 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.03 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 73.23 111.091 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.72 14.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.872 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.11 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 72.21 110.904 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.895 0.379 . . . . 75.2 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.81 160.69 52.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 70.1 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 62.41 112.354 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 40.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.876 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -45.54 -35.18 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 71.12 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -123.51 -10.62 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.868 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -30.18 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 61.23 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -32.92 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -26.66 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.124 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -84.45 120.42 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.115 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 18.26 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.865 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -77.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -28.34 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.24 110.907 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.29 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.7 0.02 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.072 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.41 -17.8 14.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 75.51 111.14 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.868 0.366 . . . . 75.43 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp 58.85 71.6 0.95 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 62.22 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 91.51 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 75.54 112.354 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -118.66 36.07 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.841 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.875 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.9 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.22 63.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.02 111.1 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.79 -33.12 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.883 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.58 -27.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.104 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.85 120.51 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 73.44 111.142 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 17.87 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.888 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -119.62 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.869 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -28.69 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -53.28 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 65.01 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.01 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.41 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -17.76 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.864 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.51 111.136 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.833 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.897 0.38 . . . . 75.25 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.02 73.1 6.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 74.33 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.79 3.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 71.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -118.61 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 65.13 110.888 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -38.13 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.52 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.39 -9.32 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.891 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.12 -28.27 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 73.43 111.097 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -33.1 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.897 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.64 -26.94 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.166 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.84 120.5 26.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.15 111.141 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.82 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 71.25 110.917 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.62 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.946 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -51.11 -28.82 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.2 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.902 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 0.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.23 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.898 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.53 111.089 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.839 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.96 159.27 30.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 73.33 110.94 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -16.2 37.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 71.44 112.375 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.74 -38.06 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.45 -9.31 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.903 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.21 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 75.35 111.078 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.15 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.69 -26.92 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.134 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.46 26.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.44 111.137 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 17.8 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.49 -77.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 62.55 110.866 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.08 -28.74 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.35 58.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.871 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 0.01 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 72.11 111.131 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -17.74 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.77 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.111 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.02 110.903 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.89 0.376 . . . . 75.43 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 160.61 77.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 75.31 110.875 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 157.75 59.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 75.24 112.369 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.59 36.05 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.913 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.61 -38.2 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.912 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.2 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 63.54 111.14 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.74 -33.2 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.25 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.56 -27.03 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.124 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.51 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.136 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.8 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.875 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -51.02 -28.89 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.9 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.27 59.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 63.45 110.91 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 0.0 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.24 111.095 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.829 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.75 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.149 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.91 0.385 . . . . 73.41 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.93 70.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 75.41 110.924 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.95 62.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 72.53 112.362 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -118.51 36.17 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -43.51 -38.4 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.91 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.49 -9.15 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.85 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.0 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 54.45 111.092 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.04 110.901 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.4 -27.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 61.43 111.129 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.86 121.15 27.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 62.12 111.135 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.61 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.876 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.899 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -18.63 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.35 59.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 73.52 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.23 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.5 -17.76 14.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.859 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.73 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.18 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.872 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.872 0.367 . . . . 74.44 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -124.09 69.3 48.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.703 . . . . 72.24 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.42 37.23 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.233 . . . . 74.43 112.349 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 36.0 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.52 110.914 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.57 -38.24 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.51 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.11 -28.19 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 65.42 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -33.18 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.35 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.59 -27.0 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 71.23 111.133 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.65 120.61 26.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.151 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 20.0 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.886 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -77.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.878 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -51.55 -28.16 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.894 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -53.33 59.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.894 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 0.05 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.34 111.09 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.77 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 71.34 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.68 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.41 111.158 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.35 110.876 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.876 0.37 . . . . 64.04 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.98 159.61 58.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 74.04 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.91 37.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.696 2.264 . . . . 73.31 112.333 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.68 36.08 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.904 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -43.66 -38.13 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.43 -9.31 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.3 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 60.44 111.103 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -33.1 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.924 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.65 -27.02 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.131 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.53 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 75.14 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.86 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.87 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 72.12 110.866 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -28.93 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.877 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.31 59.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.855 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.04 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.21 111.088 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -17.8 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.74 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.147 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 72.52 110.84 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 71.32 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.56 71.21 82.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.621 0.724 . . . . 70.42 110.899 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 92.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 74.21 112.353 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.59 36.44 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.22 110.899 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -37.99 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.907 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.44 -9.36 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.868 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.39 63.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 61.1 111.103 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -33.11 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.63 -26.94 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.21 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -84.8 120.58 26.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 53.54 111.119 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 18.34 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.91 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.25 -28.59 12.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 63.31 110.896 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.879 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.03 19.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.33 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.45 -17.74 14.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.76 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 75.34 111.169 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 73.12 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.861 0.362 . . . . 75.31 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.48 160.68 34.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.654 0.74 . . . . 73.34 110.901 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 70.54 112.301 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.36 39.38 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.879 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -40.1 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.942 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.17 -10.05 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.26 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 72.24 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -88.66 -39.01 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.86 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -66.76 -27.2 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 73.14 111.158 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 p -84.73 121.17 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.914 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -70.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.906 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -18.67 63.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.54 110.854 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.36 59.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.873 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.02 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 75.32 111.124 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -17.76 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.76 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 75.13 111.127 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.871 0.367 . . . . 74.52 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.63 159.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.619 0.723 . . . . 75.25 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 74.14 112.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 36.27 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.5 110.939 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.87 -38.04 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.4 -9.42 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.55 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.31 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 65.13 111.105 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -33.15 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 75.4 110.907 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.6 -27.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.131 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.78 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 73.21 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.74 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.903 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.15 110.918 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -51.09 -28.82 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.23 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.29 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.902 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 0.08 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.76 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.811 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.51 -39.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.169 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 75.23 110.856 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.889 0.376 . . . . 63.44 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.4 mt -143.76 68.88 16.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 72.14 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.7 68.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.694 2.263 . . . . 71.33 112.323 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -118.54 35.47 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.57 -36.07 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.68 -10.38 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.875 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.76 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.43 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -32.97 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -26.77 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.13 111.128 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.94 121.02 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.25 111.107 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 16.68 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.898 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 -70.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.912 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -18.71 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.912 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.38 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.879 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 74.1 111.101 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.78 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 62.12 111.122 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.3 110.876 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.88 0.371 . . . . 73.34 110.862 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.06 160.65 69.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 75.41 110.928 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.24 31.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 73.35 112.334 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -118.6 36.46 4.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.907 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -38.16 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.895 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.53 -9.28 8.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.9 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.11 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.113 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 -33.28 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.848 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.43 -27.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.086 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 p -84.9 121.17 27.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 64.2 111.152 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 15.66 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.862 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -18.64 63.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 54.11 110.91 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -53.43 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 65.42 110.89 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.02 19.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 70.4 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -17.83 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.814 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.39 -39.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.1 111.116 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.52 110.88 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.891 0.376 . . . . 75.43 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.19 160.65 39.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 65.13 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 158.46 56.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.256 . . . . 74.45 112.349 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 35.77 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 64.03 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -38.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.5 -9.17 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.879 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.35 63.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.35 111.113 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -33.21 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.49 -27.14 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 75.32 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.76 121.12 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.51 111.165 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 17.39 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.847 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.55 110.9 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -61.54 -18.68 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 61.13 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -53.36 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.01 19.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.51 111.145 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -17.74 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.872 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.73 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.43 111.125 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.84 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.383 . . . . 75.3 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.21 159.69 48.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 75.11 110.894 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.75 69.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 72.43 112.342 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -118.55 36.14 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -38.38 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 74.42 110.941 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.54 -9.16 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 74.13 110.836 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.06 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.134 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -33.26 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.9 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.35 -27.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.14 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -84.87 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.31 111.116 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 15.74 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.02 110.899 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -76.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -18.64 65.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 72.14 110.904 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -53.31 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.911 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.0 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.106 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.58 -17.72 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.815 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.092 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.32 110.897 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.35 . . . . 74.52 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.93 159.67 63.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.593 0.711 . . . . 75.23 110.922 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.81 29.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 72.22 112.371 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 36.12 4.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.12 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -38.37 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.966 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.51 -9.15 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.846 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.01 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.145 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -89.09 -33.22 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.46 -27.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.44 111.121 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.33 111.144 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 16.09 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.939 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -76.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -18.74 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 65.13 110.912 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.2 -53.35 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.11 110.874 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.06 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.092 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.899 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.05 111.14 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.872 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.884 0.373 . . . . 73.42 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.88 160.69 37.71 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.612 0.72 . . . . 73.41 110.922 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 106.67 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.721 2.281 . . . . 75.4 112.35 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 40.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.909 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.44 -37.38 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.03 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.01 -9.33 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.91 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.52 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 72.12 111.103 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.51 -33.07 19.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.883 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.42 -26.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.44 111.166 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -85.01 120.5 26.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 65.15 111.078 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.76 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.92 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.915 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.15 -28.72 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.3 110.94 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -53.38 58.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 75.15 110.886 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.01 111.135 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.74 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.56 -39.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.115 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.854 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.895 0.378 . . . . 75.43 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.44 160.67 34.36 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.712 . . . . 74.01 110.909 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.85 5.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.215 . . . . 71.25 112.343 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -118.57 33.87 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.875 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.48 -38.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CD2' HG12 ' A' ' 9' ' ' ILE . 1.7 t80 -123.01 -7.88 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 60.33 111.105 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -34.79 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' CD2' ' A' ' 6' ' ' PHE . 1.1 pp -71.15 -27.1 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 61.44 111.146 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.94 120.4 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 60.1 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 14.72 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.85 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -77.48 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 73.34 110.917 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.25 -30.02 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.907 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -53.33 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.918 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -0.04 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 53.13 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 -17.79 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.83 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 61.44 111.091 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 71.01 110.838 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.868 0.366 . . . . 71.04 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 56.53 72.49 0.97 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 73.13 110.936 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.49 3.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 74.21 112.328 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -118.62 36.11 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.53 110.87 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -38.24 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.879 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.45 -9.34 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.1 63.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 75.05 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -33.25 17.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.45 110.86 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.49 -27.08 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.43 111.122 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.53 120.84 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 71.02 111.115 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 17.09 12.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.885 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -72.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.87 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.59 -24.82 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.23 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -53.34 59.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.846 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.1 19.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.105 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 -17.77 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.842 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.36 -39.83 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 75.23 111.098 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.857 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 1.7 ptpt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.831 0.348 . . . . 74.450000000000003 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -39.94 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.22 -9.92 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.43 -28.4 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.230000000000004 111.076 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -38.86 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.878 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -67.01 -27.27 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.087 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.48 120.53 26.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 111.189 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 18.32 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 44.100000000000001 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -77.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 65.519999999999996 110.878 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -50.77 -28.93 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.916 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 110.826 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.03 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 34.420000000000002 111.091 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.72 14.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.872 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 65.030000000000001 110.904 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.698 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.817 0.342 . . . . 75.239999999999995 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -45.54 -35.18 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 71.120000000000005 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -123.51 -10.62 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.48 -30.18 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 61.130000000000003 111.096 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -32.92 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 72.430000000000007 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.8 -26.66 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 111.124 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -84.45 120.42 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.439999999999998 111.115 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 18.26 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 44.43 110.865 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -77.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.049999999999997 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.551 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -51.4 -28.34 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.907 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.29 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.219999999999999 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.7 0.02 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 111.072 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.41 -17.8 14.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 61.439999999999998 111.14 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.1 ptpt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.781 0.324 . . . . 74.420000000000002 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 65.530000000000001 110.875 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 33.140000000000001 110.9 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.22 63.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.019999999999996 111.1 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.79 -33.12 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.883 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.58 -27.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.104 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.85 120.51 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.142 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 17.87 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.888 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -119.62 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 70.299999999999997 110.869 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.14 -28.69 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 73.420000000000002 110.892 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -53.28 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.43 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.01 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.409999999999997 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -17.76 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.109999999999999 110.864 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.510000000000005 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.833 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.808 0.337 . . . . 65.129999999999995 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -38.13 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.519999999999996 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.39 -9.32 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.230000000000004 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.27 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.400000000000006 111.097 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -33.1 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.409999999999997 110.897 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.64 -26.94 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 111.166 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.84 120.5 26.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.150000000000006 111.141 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.82 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 62.420000000000002 110.917 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.62 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.019999999999996 110.946 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.7 m-20 -51.11 -28.82 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.902 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 0.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.229999999999997 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.340000000000003 110.898 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.089 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.409999999999997 110.839 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 74.430000000000007 110.894 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.74 -38.06 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.31 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.903 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.21 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 44.109999999999999 111.078 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.15 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.109999999999999 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.69 -26.92 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 63.340000000000003 111.134 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.46 26.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 111.137 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 17.8 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.49 -77.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 62.549999999999997 110.866 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -51.08 -28.74 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.35 58.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 0.01 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 72.109999999999999 111.131 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -17.74 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 63.420000000000002 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.77 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 65.109999999999999 111.111 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.903 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.57 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.81 0.338 . . . . 55.43 110.913 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.61 -38.2 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.2 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 63.539999999999999 111.14 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.74 -33.2 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 64.239999999999995 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -27.03 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 65.530000000000001 111.124 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.51 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.136 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.8 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.439999999999998 110.875 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.554 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.02 -28.89 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 72.340000000000003 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.27 59.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 63.450000000000003 110.91 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 0.0 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.240000000000002 111.095 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 110.829 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.75 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 55.210000000000001 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.814 0.34 . . . . 73.25 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -43.51 -38.4 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.91 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.49 -9.15 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.24 -28.0 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 54.450000000000003 111.092 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.040000000000006 110.901 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.4 -27.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 60.409999999999997 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.86 121.15 27.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 51.439999999999998 111.135 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.61 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.510000000000005 110.876 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.899 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.66 -18.63 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.914 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.35 59.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 73.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 54.119999999999997 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.5 -17.76 14.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.859 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.73 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.18 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 110.872 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 64.420000000000002 110.914 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.57 -38.24 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.450000000000003 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.872 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.11 -28.19 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 45.310000000000002 111.129 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -33.18 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.0 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 54.450000000000003 111.133 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.65 120.61 26.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 111.151 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 20.0 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.886 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -77.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.878 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.55 -28.16 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 72.040000000000006 110.894 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -53.33 59.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.510000000000005 110.894 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 0.05 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 111.09 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.77 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 71.340000000000003 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.68 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 35.020000000000003 111.158 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.349999999999994 110.876 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.904 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -43.66 -38.13 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.896 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.31 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.899 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.3 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 52.43 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -33.1 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.924 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.65 -27.02 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 50.210000000000001 111.131 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.53 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 75.140000000000001 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.86 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.87 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.299999999999997 110.866 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.01 -28.93 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.877 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.31 59.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.855 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.04 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.209999999999994 111.088 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -17.8 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.74 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.010000000000005 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.84 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.585 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.823 0.344 . . . . 73.099999999999994 110.899 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -37.99 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.129999999999995 110.907 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.36 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.39 63.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 54.009999999999998 111.103 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -33.11 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.63 -26.94 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -84.8 120.58 26.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 25.23 111.119 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 18.34 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.91 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.5 m-20 -51.25 -28.59 12.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 63.310000000000002 110.896 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.879 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.03 19.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 63.439999999999998 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.45 -17.74 14.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.45 -39.76 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 60.210000000000001 111.169 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.34 . . . . 71.120000000000005 110.879 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -40.1 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 63.329999999999998 110.942 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.17 -10.05 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.24 -28.26 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 65.310000000000002 111.103 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -88.66 -39.01 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 110.86 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.76 -27.2 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 111.158 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 p -84.73 121.17 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.439999999999998 110.914 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -70.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.906 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -62.84 -18.67 63.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 110.854 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.36 59.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.873 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.02 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 75.319999999999993 111.124 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -17.76 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.230000000000004 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.76 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 54.439999999999998 111.127 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 73.310000000000002 110.939 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.87 -38.04 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.230000000000004 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.4 -9.42 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.230000000000004 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.31 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 65.129999999999995 111.105 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -33.15 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 75.400000000000006 110.907 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.6 -27.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.099999999999994 111.131 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.78 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 71.040000000000006 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.74 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.903 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.150000000000006 110.918 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m120 -51.09 -28.82 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.230000000000004 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.29 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.409999999999997 110.902 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 0.08 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.540000000000006 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.76 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.811 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.51 -39.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.169 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.430000000000007 110.856 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.595 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.78 0.324 . . . . 72.109999999999999 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.57 -36.07 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.68 -10.38 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.63 -28.76 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -32.97 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.84 -26.77 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.530000000000001 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.94 121.02 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.25 111.107 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 16.68 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.898 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 -70.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 62.299999999999997 110.912 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -62.04 -18.71 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.912 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.38 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 52.32 110.879 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 74.099999999999994 111.101 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.78 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.219999999999999 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.44 -39.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 33.43 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.299999999999997 110.876 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.819 0.342 . . . . 52.399999999999999 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -43.87 -38.16 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 63.109999999999999 110.895 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.28 8.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.150000000000006 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.11 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 61.240000000000002 111.113 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 -33.28 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.848 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.43 -27.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 111.086 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 p -84.9 121.17 27.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 64.200000000000003 111.152 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 15.66 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 65.209999999999994 110.917 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.862 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -63.14 -18.64 63.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 53.130000000000003 110.91 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -53.43 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 65.420000000000002 110.89 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.02 19.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 70.400000000000006 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -17.83 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.814 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.39 -39.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 63.240000000000002 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.049999999999997 110.88 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.804 0.335 . . . . 64.030000000000001 110.858 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -38.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 72.129999999999995 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.5 -9.17 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.299999999999997 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.35 63.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 54.310000000000002 111.113 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -33.21 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.14 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 75.319999999999993 111.077 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.76 121.12 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 111.165 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 17.39 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.847 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.549999999999997 110.9 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m-80 -61.54 -18.68 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 54.009999999999998 110.898 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -53.36 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.01 19.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 72.230000000000004 111.145 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -17.74 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 110.872 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.73 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.239999999999995 110.84 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.579 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.833 0.349 . . . . 74.439999999999998 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -38.38 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.941 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.16 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.836 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.06 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 111.134 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -33.26 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.420000000000002 110.9 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.35 -27.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.140000000000001 111.131 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -84.87 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 111.116 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 15.74 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 71.420000000000002 110.899 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -76.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 45.450000000000003 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -67.14 -18.64 65.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 72.140000000000001 110.904 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -53.31 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.010000000000005 110.911 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.0 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 111.106 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.58 -17.72 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.815 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 70.430000000000007 111.092 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 110.897 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 73.540000000000006 110.913 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -38.37 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 110.966 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.15 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.846 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.18 -28.01 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 111.145 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -89.09 -33.22 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.020000000000003 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.46 -27.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.240000000000002 111.121 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.299999999999997 111.144 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 16.09 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.939 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -76.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.150000000000006 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -65.89 -18.74 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 63.109999999999999 110.912 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.2 -53.35 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 55.43 110.874 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.06 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 111.092 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.899 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 111.14 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 72.239999999999995 110.872 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.347 . . . . 74.349999999999994 110.909 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.44 -37.38 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.030000000000001 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.01 -9.33 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.91 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.67 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.2 -29.52 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 72.120000000000005 111.103 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.51 -33.07 19.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.883 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.42 -26.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.319999999999993 111.166 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -85.01 120.5 26.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 65.150000000000006 111.078 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.76 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.099999999999994 110.92 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.915 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -51.15 -28.72 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.94 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -53.38 58.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 75.150000000000006 110.886 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 24.210000000000001 111.135 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.74 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.56 -39.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.854 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.591 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 ptpt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.758 0.313 . . . . 73.019999999999996 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.48 -38.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.7 t80 -123.01 -7.88 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.310000000000002 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.591 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 33.340000000000003 111.105 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -34.79 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.209999999999994 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.15 -27.1 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 61.439999999999998 111.146 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.94 120.4 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 54.140000000000001 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 14.72 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 110.85 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -77.48 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 64.409999999999997 110.917 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -50.25 -30.02 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -53.33 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 51.520000000000003 110.918 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -0.04 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 53.049999999999997 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 -17.79 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 71.019999999999996 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.83 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 50.130000000000003 111.091 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.838 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.2 ptpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 74.530000000000001 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -38.24 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.879 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.34 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.1 63.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 111.099 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -33.25 17.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.450000000000003 110.86 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.08 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 111.122 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.53 120.84 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.349999999999994 111.115 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 17.09 12.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.885 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -72.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.87 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -54.59 -24.82 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.230000000000004 110.855 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -53.34 59.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.329999999999998 110.846 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.1 19.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 61.310000000000002 111.105 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 -17.77 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.109999999999999 110.842 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.36 -39.83 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 75.230000000000004 111.098 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.219999999999999 110.857 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.871 0.367 . . . . 73.510000000000005 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.51 160.67 25.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.637 0.732 . . . . 63.140000000000001 110.901 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 149.46 67.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 74.329999999999998 112.35 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 1.7 ptpt -118.36 39.24 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 110.899 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -39.94 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.22 -9.92 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.43 -28.4 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.230000000000004 111.076 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -38.86 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.878 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -67.01 -27.27 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.087 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.48 120.53 26.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 111.189 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 18.32 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 44.100000000000001 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -77.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 65.519999999999996 110.878 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -50.77 -28.93 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.916 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 110.826 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.03 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 34.420000000000002 111.091 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.72 14.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.872 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 65.030000000000001 110.904 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.895 0.379 . . . . 60.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.81 160.69 52.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 70.099999999999994 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 54.439999999999998 112.354 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.698 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.6 40.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.876 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -45.54 -35.18 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 71.120000000000005 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -123.51 -10.62 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.48 -30.18 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 61.130000000000003 111.096 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -32.92 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 72.430000000000007 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.8 -26.66 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 111.124 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -84.45 120.42 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.439999999999998 111.115 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 18.26 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 44.43 110.865 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -77.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.049999999999997 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.551 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -51.4 -28.34 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.907 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.29 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.219999999999999 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.7 0.02 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 111.072 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.41 -17.8 14.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 61.439999999999998 111.14 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp 58.85 71.6 0.95 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 54.530000000000001 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 91.51 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 61.399999999999999 112.354 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.1 ptpt -118.66 36.07 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.841 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 65.530000000000001 110.875 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 33.140000000000001 110.9 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.22 63.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.019999999999996 111.1 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.79 -33.12 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.883 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.58 -27.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.104 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.85 120.51 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.142 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 17.87 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.888 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -119.62 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 70.299999999999997 110.869 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.14 -28.69 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 73.420000000000002 110.892 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -53.28 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.43 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.01 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.409999999999997 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -17.76 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.109999999999999 110.864 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.510000000000005 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.833 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.897 0.38 . . . . 74.25 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.02 73.1 6.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 74.329999999999998 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.79 3.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 71.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.61 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 65.129999999999995 110.888 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -38.13 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.519999999999996 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.39 -9.32 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.230000000000004 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.27 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.400000000000006 111.097 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -33.1 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.409999999999997 110.897 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.64 -26.94 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 111.166 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.84 120.5 26.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.150000000000006 111.141 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.82 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 62.420000000000002 110.917 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.62 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.019999999999996 110.946 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.7 m-20 -51.11 -28.82 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.902 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 0.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.229999999999997 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.340000000000003 110.898 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.089 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.409999999999997 110.839 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.96 159.27 30.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 73.329999999999998 110.94 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -16.2 37.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 71.439999999999998 112.375 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.57 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.894 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.74 -38.06 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.31 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.903 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.21 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 44.109999999999999 111.078 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.15 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.109999999999999 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.69 -26.92 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 63.340000000000003 111.134 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.46 26.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 111.137 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 17.8 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.49 -77.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 62.549999999999997 110.866 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -51.08 -28.74 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.35 58.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 0.01 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 72.109999999999999 111.131 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -17.74 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 63.420000000000002 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.77 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 65.109999999999999 111.111 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.903 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.89 0.376 . . . . 74.230000000000004 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 160.61 77.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 75.310000000000002 110.875 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 157.75 59.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 75.239999999999995 112.369 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.59 36.05 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 55.43 110.913 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.61 -38.2 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.2 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 63.539999999999999 111.14 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.74 -33.2 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 64.239999999999995 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -27.03 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 65.530000000000001 111.124 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.51 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.136 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.8 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.439999999999998 110.875 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.554 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.02 -28.89 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 72.340000000000003 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.27 59.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 63.450000000000003 110.91 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 0.0 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.240000000000002 111.095 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 110.829 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.75 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 55.210000000000001 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.91 0.385 . . . . 73.409999999999997 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.93 70.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 72.409999999999997 110.924 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.95 62.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 72.530000000000001 112.362 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt -118.51 36.17 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -43.51 -38.4 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.91 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.49 -9.15 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.24 -28.0 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 54.450000000000003 111.092 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.040000000000006 110.901 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.4 -27.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 60.409999999999997 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.86 121.15 27.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 51.439999999999998 111.135 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.61 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.510000000000005 110.876 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.899 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.66 -18.63 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.914 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.35 59.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 73.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 54.119999999999997 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.5 -17.76 14.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.859 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.73 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.18 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 110.872 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.872 0.367 . . . . 74.439999999999998 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -124.09 69.3 48.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.703 . . . . 64.400000000000006 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.42 37.23 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.233 . . . . 74.319999999999993 112.349 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.57 36.0 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 110.914 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.57 -38.24 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.450000000000003 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.872 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.11 -28.19 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 45.310000000000002 111.129 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -33.18 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.0 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 54.450000000000003 111.133 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.65 120.61 26.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 111.151 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 20.0 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.886 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -77.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.878 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.55 -28.16 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 72.040000000000006 110.894 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -53.33 59.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.510000000000005 110.894 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 0.05 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 111.09 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.77 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 71.340000000000003 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.68 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 35.020000000000003 111.158 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.349999999999994 110.876 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.876 0.37 . . . . 64.040000000000006 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.98 159.61 58.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 55.340000000000003 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.91 37.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.696 2.264 . . . . 73.120000000000005 112.333 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.68 36.08 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.904 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -43.66 -38.13 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.896 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.31 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.899 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.3 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 52.43 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -33.1 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.924 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.65 -27.02 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 50.210000000000001 111.131 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.53 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 75.140000000000001 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.86 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.87 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.299999999999997 110.866 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.01 -28.93 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.877 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.31 59.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.855 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.04 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.209999999999994 111.088 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -17.8 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.74 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.010000000000005 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.84 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 71.299999999999997 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.56 71.21 82.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.621 0.724 . . . . 64.219999999999999 110.899 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 92.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 71.109999999999999 112.353 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -118.59 36.44 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.099999999999994 110.899 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -37.99 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.129999999999995 110.907 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.36 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.39 63.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 54.009999999999998 111.103 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -33.11 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.63 -26.94 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -84.8 120.58 26.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 25.23 111.119 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 18.34 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.91 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.5 m-20 -51.25 -28.59 12.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 63.310000000000002 110.896 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.879 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.03 19.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 63.439999999999998 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.45 -17.74 14.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.45 -39.76 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 60.210000000000001 111.169 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.861 0.362 . . . . 70.310000000000002 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.48 160.68 34.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.654 0.74 . . . . 73.340000000000003 110.901 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 70.409999999999997 112.301 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -118.36 39.38 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.879 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -40.1 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 63.329999999999998 110.942 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.17 -10.05 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.24 -28.26 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 65.310000000000002 111.103 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -88.66 -39.01 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 110.86 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.76 -27.2 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 111.158 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 p -84.73 121.17 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.439999999999998 110.914 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -70.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.906 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -62.84 -18.67 63.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 110.854 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.36 59.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.873 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.02 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 75.319999999999993 111.124 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -17.76 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.230000000000004 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.76 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 54.439999999999998 111.127 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.871 0.367 . . . . 74.519999999999996 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.63 159.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.619 0.723 . . . . 74.099999999999994 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 74.140000000000001 112.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.53 36.27 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.939 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.87 -38.04 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.230000000000004 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.4 -9.42 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.230000000000004 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.31 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 65.129999999999995 111.105 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -33.15 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 75.400000000000006 110.907 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.6 -27.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.099999999999994 111.131 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.78 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 71.040000000000006 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.74 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.903 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.150000000000006 110.918 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m120 -51.09 -28.82 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.230000000000004 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.29 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.409999999999997 110.902 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 0.08 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.540000000000006 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.76 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.811 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.51 -39.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.169 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.430000000000007 110.856 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.889 0.376 . . . . 63.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.4 mt -143.76 68.88 16.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 72.140000000000001 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.7 68.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.694 2.263 . . . . 71.329999999999998 112.323 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.595 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.54 35.47 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.57 -36.07 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.68 -10.38 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.63 -28.76 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -32.97 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.84 -26.77 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.530000000000001 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.94 121.02 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.25 111.107 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 16.68 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.898 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 -70.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 62.299999999999997 110.912 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -62.04 -18.71 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.912 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.38 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 52.32 110.879 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 74.099999999999994 111.101 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.78 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.219999999999999 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.44 -39.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 33.43 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.299999999999997 110.876 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.88 0.371 . . . . 73.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.06 160.65 69.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 75.409999999999997 110.928 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.557 ' HB2' HD23 ' A' ' 5' ' ' LEU . 53.4 Cg_endo -69.8 165.24 31.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 73.349999999999994 112.334 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.6 36.46 4.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 52.399999999999999 110.907 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -43.87 -38.16 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 63.109999999999999 110.895 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.28 8.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.150000000000006 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.11 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 61.240000000000002 111.113 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 -33.28 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.848 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.43 -27.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 111.086 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 p -84.9 121.17 27.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 64.200000000000003 111.152 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 15.66 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 65.209999999999994 110.917 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.862 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -63.14 -18.64 63.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 53.130000000000003 110.91 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -53.43 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 65.420000000000002 110.89 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.02 19.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 70.400000000000006 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -17.83 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.814 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.39 -39.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 63.240000000000002 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.049999999999997 110.88 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.891 0.376 . . . . 65.420000000000002 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.19 160.65 39.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 60.020000000000003 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 158.46 56.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.256 . . . . 65.349999999999994 112.349 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.33 35.77 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 64.030000000000001 110.858 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -38.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 72.129999999999995 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.5 -9.17 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.299999999999997 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.35 63.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 54.310000000000002 111.113 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -33.21 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.14 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 75.319999999999993 111.077 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.76 121.12 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 111.165 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 17.39 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.847 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.549999999999997 110.9 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m-80 -61.54 -18.68 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 54.009999999999998 110.898 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -53.36 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.01 19.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 72.230000000000004 111.145 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -17.74 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 110.872 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.73 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.239999999999995 110.84 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.383 . . . . 72.019999999999996 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.21 159.69 48.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 75.109999999999999 110.894 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.75 69.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 72.219999999999999 112.342 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt -118.55 36.14 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.88 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -38.38 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.941 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.16 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.836 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.06 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 111.134 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -33.26 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.420000000000002 110.9 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.35 -27.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.140000000000001 111.131 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -84.87 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 111.116 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 15.74 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 71.420000000000002 110.899 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -76.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 45.450000000000003 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -67.14 -18.64 65.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 72.140000000000001 110.904 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -53.31 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.010000000000005 110.911 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.0 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 111.106 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.58 -17.72 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.815 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 70.430000000000007 111.092 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 110.897 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.35 . . . . 72.349999999999994 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.93 159.67 63.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.593 0.711 . . . . 73.140000000000001 110.922 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.81 29.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 71.5 112.371 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.56 36.12 4.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 73.540000000000006 110.913 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -38.37 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 110.966 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.15 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.846 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.18 -28.01 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 111.145 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -89.09 -33.22 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.020000000000003 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.46 -27.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.240000000000002 111.121 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.299999999999997 111.144 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 16.09 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.939 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -76.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.150000000000006 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -65.89 -18.74 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 63.109999999999999 110.912 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.2 -53.35 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 55.43 110.874 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.06 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 111.092 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.899 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 111.14 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 72.239999999999995 110.872 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.884 0.373 . . . . 73.420000000000002 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.88 160.69 37.71 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.612 0.72 . . . . 73.409999999999997 110.922 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 106.67 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.721 2.281 . . . . 75.400000000000006 112.35 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.7 40.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.349999999999994 110.909 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.44 -37.38 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.030000000000001 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.01 -9.33 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.91 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.67 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.2 -29.52 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 72.120000000000005 111.103 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.51 -33.07 19.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.883 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.42 -26.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.319999999999993 111.166 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -85.01 120.5 26.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 65.150000000000006 111.078 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.76 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.099999999999994 110.92 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.915 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -51.15 -28.72 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.94 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -53.38 58.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 75.150000000000006 110.886 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 24.210000000000001 111.135 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.74 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.56 -39.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.854 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.895 0.378 . . . . 75.430000000000007 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.44 160.67 34.36 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.712 . . . . 71.400000000000006 110.909 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.85 5.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.215 . . . . 62.219999999999999 112.343 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.591 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 ptpt -118.57 33.87 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 73.019999999999996 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.48 -38.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.7 t80 -123.01 -7.88 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.310000000000002 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.591 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 33.340000000000003 111.105 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -34.79 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.209999999999994 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.15 -27.1 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 61.439999999999998 111.146 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.94 120.4 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 54.140000000000001 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 14.72 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 110.85 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -77.48 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 64.409999999999997 110.917 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -50.25 -30.02 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -53.33 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 51.520000000000003 110.918 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -0.04 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 53.049999999999997 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 -17.79 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 71.019999999999996 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.83 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 50.130000000000003 111.091 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.838 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.868 0.366 . . . . 62.049999999999997 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 56.53 72.49 0.97 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 70.010000000000005 110.936 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.49 3.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 72.450000000000003 112.328 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.2 ptpt -118.62 36.11 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.530000000000001 110.87 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -38.24 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.879 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.34 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.1 63.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 111.099 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -33.25 17.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.450000000000003 110.86 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.08 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 111.122 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.53 120.84 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.349999999999994 111.115 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 17.09 12.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.885 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -72.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.87 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -54.59 -24.82 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.230000000000004 110.855 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -53.34 59.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.329999999999998 110.846 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.1 19.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 61.310000000000002 111.105 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 -17.77 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.109999999999999 110.842 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.36 -39.83 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 75.230000000000004 111.098 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.219999999999999 110.857 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 1.7 ptpt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.831 0.348 . . . . 74.450000000000003 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -39.94 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.22 -9.92 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.43 -28.4 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.230000000000004 111.076 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -38.86 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.878 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -67.01 -27.27 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.087 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.48 120.53 26.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 111.189 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 18.32 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 44.100000000000001 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -77.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 65.519999999999996 110.878 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -50.77 -28.93 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.916 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 110.826 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.03 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 34.420000000000002 111.091 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.72 14.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.872 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 65.030000000000001 110.904 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.698 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.817 0.342 . . . . 75.239999999999995 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -45.54 -35.18 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 71.120000000000005 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -123.51 -10.62 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.48 -30.18 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 61.130000000000003 111.096 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -32.92 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 72.430000000000007 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.8 -26.66 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 111.124 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -84.45 120.42 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.439999999999998 111.115 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 18.26 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 44.43 110.865 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -77.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.049999999999997 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.551 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -51.4 -28.34 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.907 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.29 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.219999999999999 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.7 0.02 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 111.072 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.41 -17.8 14.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 61.439999999999998 111.14 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.1 ptpt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.781 0.324 . . . . 74.420000000000002 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 65.530000000000001 110.875 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 33.140000000000001 110.9 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.22 63.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.019999999999996 111.1 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.79 -33.12 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.883 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.58 -27.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.104 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.85 120.51 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.142 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 17.87 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.888 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -119.62 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 70.299999999999997 110.869 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.14 -28.69 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 73.420000000000002 110.892 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -53.28 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.43 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.01 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.409999999999997 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -17.76 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.109999999999999 110.864 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.510000000000005 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.833 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.808 0.337 . . . . 65.129999999999995 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -38.13 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.519999999999996 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.39 -9.32 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.230000000000004 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.27 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.400000000000006 111.097 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -33.1 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.409999999999997 110.897 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.64 -26.94 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 111.166 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.84 120.5 26.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.150000000000006 111.141 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.82 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 62.420000000000002 110.917 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.62 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.019999999999996 110.946 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.7 m-20 -51.11 -28.82 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.902 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 0.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.229999999999997 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.340000000000003 110.898 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.089 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.409999999999997 110.839 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 74.430000000000007 110.894 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.74 -38.06 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.31 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.903 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.21 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 44.109999999999999 111.078 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.15 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.109999999999999 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.69 -26.92 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 63.340000000000003 111.134 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.46 26.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 111.137 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 17.8 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.49 -77.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 62.549999999999997 110.866 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -51.08 -28.74 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.35 58.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 0.01 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 72.109999999999999 111.131 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -17.74 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 63.420000000000002 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.77 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 65.109999999999999 111.111 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.903 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.57 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.81 0.338 . . . . 55.43 110.913 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.61 -38.2 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.2 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 63.539999999999999 111.14 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.74 -33.2 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 64.239999999999995 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -27.03 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 65.530000000000001 111.124 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.51 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.136 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.8 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.439999999999998 110.875 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.554 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.02 -28.89 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 72.340000000000003 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.27 59.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 63.450000000000003 110.91 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 0.0 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.240000000000002 111.095 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 110.829 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.75 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 55.210000000000001 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.814 0.34 . . . . 73.25 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -43.51 -38.4 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.91 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.49 -9.15 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.24 -28.0 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 54.450000000000003 111.092 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.040000000000006 110.901 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.4 -27.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 60.409999999999997 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.86 121.15 27.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 51.439999999999998 111.135 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.61 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.510000000000005 110.876 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.899 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.66 -18.63 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.914 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.35 59.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 73.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 54.119999999999997 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.5 -17.76 14.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.859 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.73 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.18 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 110.872 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 64.420000000000002 110.914 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.57 -38.24 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.450000000000003 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.872 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.11 -28.19 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 45.310000000000002 111.129 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -33.18 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.0 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 54.450000000000003 111.133 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.65 120.61 26.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 111.151 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 20.0 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.886 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -77.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.878 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.55 -28.16 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 72.040000000000006 110.894 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -53.33 59.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.510000000000005 110.894 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 0.05 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 111.09 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.77 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 71.340000000000003 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.68 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 35.020000000000003 111.158 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.349999999999994 110.876 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.904 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -43.66 -38.13 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.896 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.31 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.899 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.3 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 52.43 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -33.1 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.924 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.65 -27.02 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 50.210000000000001 111.131 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.53 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 75.140000000000001 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.86 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.87 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.299999999999997 110.866 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.01 -28.93 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.877 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.31 59.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.855 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.04 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.209999999999994 111.088 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -17.8 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.74 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.010000000000005 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.84 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.585 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.823 0.344 . . . . 73.099999999999994 110.899 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -37.99 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.129999999999995 110.907 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.36 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.39 63.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 54.009999999999998 111.103 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -33.11 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.63 -26.94 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -84.8 120.58 26.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 25.23 111.119 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 18.34 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.91 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.5 m-20 -51.25 -28.59 12.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 63.310000000000002 110.896 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.879 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.03 19.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 63.439999999999998 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.45 -17.74 14.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.45 -39.76 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 60.210000000000001 111.169 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.34 . . . . 71.120000000000005 110.879 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -40.1 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 63.329999999999998 110.942 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.17 -10.05 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.24 -28.26 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 65.310000000000002 111.103 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -88.66 -39.01 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 110.86 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.76 -27.2 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 111.158 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 p -84.73 121.17 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.439999999999998 110.914 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -70.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.906 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -62.84 -18.67 63.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 110.854 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.36 59.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.873 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.02 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 75.319999999999993 111.124 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -17.76 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.230000000000004 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.76 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 54.439999999999998 111.127 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 73.310000000000002 110.939 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.87 -38.04 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.230000000000004 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.4 -9.42 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.230000000000004 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.31 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 65.129999999999995 111.105 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -33.15 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 75.400000000000006 110.907 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.6 -27.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.099999999999994 111.131 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.78 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 71.040000000000006 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.74 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.903 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.150000000000006 110.918 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m120 -51.09 -28.82 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.230000000000004 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.29 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.409999999999997 110.902 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 0.08 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.540000000000006 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.76 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.811 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.51 -39.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.169 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.430000000000007 110.856 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.595 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.78 0.324 . . . . 72.109999999999999 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.57 -36.07 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.68 -10.38 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.63 -28.76 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -32.97 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.84 -26.77 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.530000000000001 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.94 121.02 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.25 111.107 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 16.68 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.898 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 -70.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 62.299999999999997 110.912 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -62.04 -18.71 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.912 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.38 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 52.32 110.879 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 74.099999999999994 111.101 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.78 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.219999999999999 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.44 -39.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 33.43 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.299999999999997 110.876 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.819 0.342 . . . . 52.399999999999999 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -43.87 -38.16 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 63.109999999999999 110.895 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.28 8.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.150000000000006 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.11 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 61.240000000000002 111.113 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 -33.28 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.848 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.43 -27.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 111.086 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 p -84.9 121.17 27.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 64.200000000000003 111.152 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 15.66 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 65.209999999999994 110.917 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.862 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -63.14 -18.64 63.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 53.130000000000003 110.91 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -53.43 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 65.420000000000002 110.89 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.02 19.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 70.400000000000006 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -17.83 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.814 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.39 -39.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 63.240000000000002 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.049999999999997 110.88 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.804 0.335 . . . . 64.030000000000001 110.858 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -38.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 72.129999999999995 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.5 -9.17 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.299999999999997 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.35 63.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 54.310000000000002 111.113 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -33.21 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.14 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 75.319999999999993 111.077 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.76 121.12 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 111.165 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 17.39 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.847 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.549999999999997 110.9 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m-80 -61.54 -18.68 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 54.009999999999998 110.898 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -53.36 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.01 19.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 72.230000000000004 111.145 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -17.74 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 110.872 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.73 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.239999999999995 110.84 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.579 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.833 0.349 . . . . 74.439999999999998 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -38.38 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.941 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.16 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.836 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.06 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 111.134 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -33.26 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.420000000000002 110.9 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.35 -27.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.140000000000001 111.131 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -84.87 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 111.116 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 15.74 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 71.420000000000002 110.899 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -76.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 45.450000000000003 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -67.14 -18.64 65.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 72.140000000000001 110.904 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -53.31 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.010000000000005 110.911 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.0 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 111.106 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.58 -17.72 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.815 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 70.430000000000007 111.092 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 110.897 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 73.540000000000006 110.913 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -38.37 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 110.966 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.15 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.846 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.18 -28.01 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 111.145 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -89.09 -33.22 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.020000000000003 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.46 -27.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.240000000000002 111.121 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.299999999999997 111.144 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 16.09 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.939 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -76.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.150000000000006 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -65.89 -18.74 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 63.109999999999999 110.912 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.2 -53.35 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 55.43 110.874 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.06 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 111.092 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.899 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 111.14 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 72.239999999999995 110.872 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.347 . . . . 74.349999999999994 110.909 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.44 -37.38 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.030000000000001 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.01 -9.33 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.91 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.67 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.2 -29.52 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 72.120000000000005 111.103 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.51 -33.07 19.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.883 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.42 -26.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.319999999999993 111.166 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -85.01 120.5 26.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 65.150000000000006 111.078 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.76 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.099999999999994 110.92 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.915 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -51.15 -28.72 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.94 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -53.38 58.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 75.150000000000006 110.886 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 24.210000000000001 111.135 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.74 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.56 -39.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.854 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.591 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 ptpt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.758 0.313 . . . . 73.019999999999996 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.48 -38.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.7 t80 -123.01 -7.88 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.310000000000002 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.591 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 33.340000000000003 111.105 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -34.79 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.209999999999994 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.15 -27.1 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 61.439999999999998 111.146 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.94 120.4 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 54.140000000000001 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 14.72 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 110.85 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -77.48 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 64.409999999999997 110.917 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -50.25 -30.02 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -53.33 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 51.520000000000003 110.918 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -0.04 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 53.049999999999997 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 -17.79 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 71.019999999999996 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.83 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 50.130000000000003 111.091 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.838 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.2 ptpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 74.530000000000001 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -38.24 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.879 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.34 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.1 63.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 111.099 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -33.25 17.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.450000000000003 110.86 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.08 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 111.122 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.53 120.84 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.349999999999994 111.115 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 17.09 12.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.885 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -72.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.87 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -54.59 -24.82 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.230000000000004 110.855 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -53.34 59.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.329999999999998 110.846 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.1 19.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 61.310000000000002 111.105 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 -17.77 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.109999999999999 110.842 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.36 -39.83 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 75.230000000000004 111.098 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.219999999999999 110.857 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.871 0.367 . . . . 73.510000000000005 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -107.51 160.67 25.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.637 0.732 . . . . 63.140000000000001 110.901 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 149.46 67.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 74.329999999999998 112.35 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 1.7 ptpt -118.36 39.24 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 110.899 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -39.94 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.22 -9.92 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.43 -28.4 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.230000000000004 111.076 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -38.86 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.878 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -67.01 -27.27 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 111.087 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.48 120.53 26.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 111.189 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 18.32 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 44.100000000000001 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -77.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 65.519999999999996 110.878 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -50.77 -28.93 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.916 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 110.826 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.03 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 34.420000000000002 111.091 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.72 14.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.872 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 65.030000000000001 110.904 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.895 0.379 . . . . 60.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.81 160.69 52.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 70.099999999999994 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 54.439999999999998 112.354 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.698 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.6 40.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.876 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -45.54 -35.18 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 71.120000000000005 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -123.51 -10.62 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.48 -30.18 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 61.130000000000003 111.096 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -32.92 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 72.430000000000007 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.8 -26.66 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 111.124 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -84.45 120.42 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.439999999999998 111.115 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 18.26 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 44.43 110.865 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -77.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.049999999999997 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.551 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -51.4 -28.34 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.907 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.29 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.219999999999999 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.7 0.02 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 111.072 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.41 -17.8 14.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 61.439999999999998 111.14 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp 58.85 71.6 0.95 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 54.530000000000001 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 91.51 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 61.399999999999999 112.354 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.1 ptpt -118.66 36.07 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.841 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 65.530000000000001 110.875 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 33.140000000000001 110.9 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.22 63.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.019999999999996 111.1 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.79 -33.12 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.883 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.58 -27.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.104 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.85 120.51 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.142 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 17.87 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.888 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -119.62 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 70.299999999999997 110.869 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.14 -28.69 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 73.420000000000002 110.892 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -53.28 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.43 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.01 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.409999999999997 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -17.76 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.109999999999999 110.864 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.510000000000005 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.833 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.897 0.38 . . . . 74.25 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.02 73.1 6.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 74.329999999999998 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.79 3.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 71.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.61 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 65.129999999999995 110.888 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -38.13 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.519999999999996 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.39 -9.32 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.230000000000004 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.27 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.400000000000006 111.097 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -33.1 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.409999999999997 110.897 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.64 -26.94 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 111.166 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.84 120.5 26.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.150000000000006 111.141 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.82 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 62.420000000000002 110.917 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.62 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.019999999999996 110.946 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.7 m-20 -51.11 -28.82 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -53.32 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.902 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 0.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.229999999999997 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.340000000000003 110.898 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.089 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.409999999999997 110.839 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.96 159.27 30.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 73.329999999999998 110.94 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -16.2 37.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 71.439999999999998 112.375 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.57 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.894 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.74 -38.06 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.31 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.903 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.21 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 44.109999999999999 111.078 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.15 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.109999999999999 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.69 -26.92 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 63.340000000000003 111.134 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.46 26.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 111.137 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 17.8 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.49 -77.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 62.549999999999997 110.866 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -51.08 -28.74 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.35 58.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 0.01 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 72.109999999999999 111.131 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -17.74 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 63.420000000000002 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.77 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 65.109999999999999 111.111 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.903 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.89 0.376 . . . . 74.230000000000004 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 160.61 77.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 75.310000000000002 110.875 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 157.75 59.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 75.239999999999995 112.369 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.59 36.05 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 55.43 110.913 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.61 -38.2 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.26 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.2 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 63.539999999999999 111.14 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -88.74 -33.2 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 64.239999999999995 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -27.03 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 65.530000000000001 111.124 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.51 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.136 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.8 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.439999999999998 110.875 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.554 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.02 -28.89 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 72.340000000000003 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.27 59.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 63.450000000000003 110.91 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 0.0 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.240000000000002 111.095 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.75 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 110.829 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.75 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 55.210000000000001 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.91 0.385 . . . . 73.409999999999997 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.93 70.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 72.409999999999997 110.924 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.95 62.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 72.530000000000001 112.362 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt -118.51 36.17 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -43.51 -38.4 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.91 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.49 -9.15 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.24 -28.0 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 54.450000000000003 111.092 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.040000000000006 110.901 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.4 -27.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 60.409999999999997 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.86 121.15 27.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 51.439999999999998 111.135 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.61 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.510000000000005 110.876 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.899 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.66 -18.63 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.914 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.35 59.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 73.519999999999996 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 54.119999999999997 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.5 -17.76 14.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.859 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.73 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.18 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 110.872 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.872 0.367 . . . . 74.439999999999998 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -124.09 69.3 48.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.703 . . . . 64.400000000000006 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.42 37.23 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.233 . . . . 74.319999999999993 112.349 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.57 36.0 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 110.914 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.57 -38.24 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.450000000000003 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.872 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.11 -28.19 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 45.310000000000002 111.129 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -33.18 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.0 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 54.450000000000003 111.133 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.65 120.61 26.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 111.151 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 20.0 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.886 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -77.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.878 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.8 m-20 -51.55 -28.16 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 72.040000000000006 110.894 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -53.33 59.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.510000000000005 110.894 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 0.05 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 111.09 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.77 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 71.340000000000003 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.68 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 35.020000000000003 111.158 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.349999999999994 110.876 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.876 0.37 . . . . 64.040000000000006 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.98 159.61 58.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 55.340000000000003 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.91 37.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.696 2.264 . . . . 73.120000000000005 112.333 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.68 36.08 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.904 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -43.66 -38.13 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.896 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.31 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.899 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.3 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 52.43 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -33.1 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.924 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.65 -27.02 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 50.210000000000001 111.131 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.91 120.53 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 75.140000000000001 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 17.86 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.87 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 -77.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.299999999999997 110.866 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.01 -28.93 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.877 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.31 59.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.855 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.04 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.209999999999994 111.088 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -17.8 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.74 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.010000000000005 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.84 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 71.299999999999997 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.56 71.21 82.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.621 0.724 . . . . 64.219999999999999 110.899 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 92.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 71.109999999999999 112.353 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -118.59 36.44 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.099999999999994 110.899 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -37.99 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.129999999999995 110.907 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.44 -9.36 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.39 63.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 54.009999999999998 111.103 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -33.11 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.63 -26.94 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -84.8 120.58 26.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 25.23 111.119 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 18.34 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.91 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.5 m-20 -51.25 -28.59 12.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 63.310000000000002 110.896 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.879 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.03 19.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 63.439999999999998 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.45 -17.74 14.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.45 -39.76 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 60.210000000000001 111.169 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.861 0.362 . . . . 70.310000000000002 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.48 160.68 34.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.654 0.74 . . . . 73.340000000000003 110.901 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 70.409999999999997 112.301 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -118.36 39.38 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.879 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -40.1 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 63.329999999999998 110.942 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.17 -10.05 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.24 -28.26 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 65.310000000000002 111.103 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -88.66 -39.01 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 110.86 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.76 -27.2 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 111.158 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 p -84.73 121.17 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.439999999999998 110.914 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -70.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.906 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -62.84 -18.67 63.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 110.854 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.36 59.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.873 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.02 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 75.319999999999993 111.124 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -17.76 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.230000000000004 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.76 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 54.439999999999998 111.127 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.871 0.367 . . . . 74.519999999999996 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.63 159.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.619 0.723 . . . . 74.099999999999994 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 74.140000000000001 112.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.53 36.27 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.939 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.87 -38.04 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.230000000000004 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.4 -9.42 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.230000000000004 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.08 -28.31 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 65.129999999999995 111.105 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -33.15 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 75.400000000000006 110.907 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.6 -27.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.099999999999994 111.131 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.78 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 71.040000000000006 111.155 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.74 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.903 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.150000000000006 110.918 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m120 -51.09 -28.82 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.230000000000004 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -53.29 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.409999999999997 110.902 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 0.08 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.540000000000006 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.76 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.811 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.51 -39.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.169 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.430000000000007 110.856 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.889 0.376 . . . . 63.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.4 mt -143.76 68.88 16.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 72.140000000000001 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.7 68.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.694 2.263 . . . . 71.329999999999998 112.323 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.595 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.54 35.47 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.865 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.57 -36.07 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.68 -10.38 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.63 -28.76 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -32.97 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.84 -26.77 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.530000000000001 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.94 121.02 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.25 111.107 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.82 16.68 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.898 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 -70.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 62.299999999999997 110.912 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -62.04 -18.71 61.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.912 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.38 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 52.32 110.879 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 74.099999999999994 111.101 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.78 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.219999999999999 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.44 -39.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 33.43 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.299999999999997 110.876 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.88 0.371 . . . . 73.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.06 160.65 69.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 75.409999999999997 110.928 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.557 ' HB2' HD23 ' A' ' 5' ' ' LEU . 53.4 Cg_endo -69.8 165.24 31.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 73.349999999999994 112.334 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.6 36.46 4.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 52.399999999999999 110.907 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -43.87 -38.16 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 63.109999999999999 110.895 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.28 8.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.150000000000006 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.16 -28.11 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 61.240000000000002 111.113 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 -33.28 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.848 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.43 -27.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 111.086 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 p -84.9 121.17 27.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 64.200000000000003 111.152 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 15.66 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 65.209999999999994 110.917 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.862 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -63.14 -18.64 63.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 53.130000000000003 110.91 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -53.43 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 65.420000000000002 110.89 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.02 19.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 70.400000000000006 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -17.83 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.814 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.39 -39.83 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 63.240000000000002 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.049999999999997 110.88 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.891 0.376 . . . . 65.420000000000002 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.19 160.65 39.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 60.020000000000003 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 158.46 56.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.256 . . . . 65.349999999999994 112.349 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.33 35.77 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 64.030000000000001 110.858 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -38.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 72.129999999999995 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.5 -9.17 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.299999999999997 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.35 63.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 54.310000000000002 111.113 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -33.21 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.14 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 75.319999999999993 111.077 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.76 121.12 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 111.165 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 17.39 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.847 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.549999999999997 110.9 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m-80 -61.54 -18.68 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 54.009999999999998 110.898 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -53.36 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.01 19.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 72.230000000000004 111.145 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -17.74 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 110.872 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.73 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.239999999999995 110.84 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.383 . . . . 72.019999999999996 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.21 159.69 48.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 75.109999999999999 110.894 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.75 69.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 72.219999999999999 112.342 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 ptpt -118.55 36.14 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.88 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -38.38 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.941 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.16 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.836 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.06 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 111.134 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -33.26 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.420000000000002 110.9 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.35 -27.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.140000000000001 111.131 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -84.87 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 111.116 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 15.74 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 71.420000000000002 110.899 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -76.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 45.450000000000003 110.893 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -67.14 -18.64 65.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 72.140000000000001 110.904 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -53.31 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.010000000000005 110.911 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.0 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 111.106 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.58 -17.72 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.815 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 70.430000000000007 111.092 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 110.897 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.35 . . . . 72.349999999999994 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.93 159.67 63.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.593 0.711 . . . . 73.140000000000001 110.922 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.81 29.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 71.5 112.371 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.56 36.12 4.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 73.540000000000006 110.913 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -38.37 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 110.966 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.15 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.846 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.18 -28.01 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 111.145 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -89.09 -33.22 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.020000000000003 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.46 -27.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.240000000000002 111.121 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.299999999999997 111.144 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 16.09 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.939 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -76.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.150000000000006 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -65.89 -18.74 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 63.109999999999999 110.912 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.2 -53.35 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 55.43 110.874 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.06 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 111.092 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.899 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 111.14 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 72.239999999999995 110.872 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.884 0.373 . . . . 73.420000000000002 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.88 160.69 37.71 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.612 0.72 . . . . 73.409999999999997 110.922 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 106.67 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.721 2.281 . . . . 75.400000000000006 112.35 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.7 40.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.349999999999994 110.909 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.44 -37.38 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.030000000000001 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.01 -9.33 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.91 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.67 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.2 -29.52 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 72.120000000000005 111.103 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.51 -33.07 19.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.883 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.42 -26.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.319999999999993 111.166 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -85.01 120.5 26.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 65.150000000000006 111.078 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 17.76 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.099999999999994 110.92 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.64 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.915 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -51.15 -28.72 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.94 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -53.38 58.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 75.150000000000006 110.886 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 24.210000000000001 111.135 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.74 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.914 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.56 -39.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.854 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.895 0.378 . . . . 75.430000000000007 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.44 160.67 34.36 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.712 . . . . 71.400000000000006 110.909 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.85 5.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.215 . . . . 62.219999999999999 112.343 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.591 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 ptpt -118.57 33.87 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 73.019999999999996 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.48 -38.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.7 t80 -123.01 -7.88 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.310000000000002 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.591 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 33.340000000000003 111.105 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -34.79 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 64.209999999999994 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.15 -27.1 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 61.439999999999998 111.146 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.94 120.4 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 54.140000000000001 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 14.72 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 110.85 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -77.48 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 64.409999999999997 110.917 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.1 m-20 -50.25 -30.02 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -53.33 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 51.520000000000003 110.918 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -0.04 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 53.049999999999997 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 -17.79 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 71.019999999999996 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.83 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 50.130000000000003 111.091 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.838 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.868 0.366 . . . . 62.049999999999997 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 56.53 72.49 0.97 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 70.010000000000005 110.936 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.49 3.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.236 . . . . 72.450000000000003 112.328 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.2 ptpt -118.62 36.11 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.530000000000001 110.87 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -38.24 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.879 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.45 -9.34 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.1 63.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 111.099 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -33.25 17.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.450000000000003 110.86 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.49 -27.08 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 111.122 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.53 120.84 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.349999999999994 111.115 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 17.09 12.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.885 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -72.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.87 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -54.59 -24.82 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.230000000000004 110.855 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -53.34 59.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.329999999999998 110.846 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.1 19.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 61.310000000000002 111.105 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 -17.77 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.109999999999999 110.842 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.36 -39.83 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 75.230000000000004 111.098 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.219999999999999 110.857 -179.987 . . . . . . . . 1 1 . 1 stop_ save_