data_5ykq_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 5ykq _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 ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.821 0.343 . . . . 75.43 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.91 -38.13 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -122.96 -8.03 8.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.22 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 63.23 111.089 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -34.47 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.31 110.896 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.62 -27.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.14 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 p -84.63 120.6 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 74.3 111.121 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.98 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.886 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 71.11 110.892 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.99 -28.8 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.879 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.27 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.871 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 0.0 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.23 111.148 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -17.78 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.54 -39.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.106 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 75.24 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -38.44 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 70.21 110.91 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.879 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.03 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.2 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -33.25 17.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.41 -27.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 54.04 111.143 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.81 121.13 27.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.5 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.54 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.867 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.55 110.915 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -18.62 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.916 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -53.44 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.845 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.03 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.124 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.74 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.3 111.171 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.898 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.787 0.327 . . . . 73.35 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.26 -40.11 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.865 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.22 -9.98 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.861 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.22 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 74.03 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -88.65 -39.01 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 70.2 110.932 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -66.72 -27.33 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.42 111.149 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.68 121.11 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.1 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 16.63 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.53 110.938 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.932 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -18.68 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 72.24 110.893 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -53.4 58.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 55.22 111.098 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.61 -17.71 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.55 -39.69 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.13 111.102 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.842 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.87 -38.2 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.51 -9.22 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 72.04 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.12 -28.2 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.12 111.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -33.27 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.91 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.41 -27.07 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.35 111.124 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.87 121.08 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.128 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 16.57 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.923 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -70.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.873 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.87 -18.72 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.2 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -53.34 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.876 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -0.07 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 75.54 111.103 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.72 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.874 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.46 -39.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.129 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.852 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.834 0.349 . . . . 75.12 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -43.58 -38.15 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.41 110.965 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.39 -9.34 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.14 110.901 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -28.24 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 41.34 111.103 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.14 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.6 -27.01 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.12 111.13 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 p -84.82 120.49 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.145 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 17.76 11.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.929 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.51 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.902 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -28.75 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.897 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.37 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.896 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.14 111.121 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 -17.69 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.897 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.57 -39.78 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.887 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.828 0.346 . . . . 75.41 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -38.21 2.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 63.35 110.927 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.25 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.51 110.885 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.28 63.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.069 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.11 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.62 -27.05 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 72.4 111.149 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -84.73 120.58 26.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 73.33 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 18.43 11.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.887 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.61 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.928 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.28 -28.58 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 71.55 110.917 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -53.33 59.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.897 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.02 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.31 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 -17.78 14.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.14 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.875 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 73.42 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.51 -38.39 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.89 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -28.11 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 54.04 111.08 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -33.27 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.917 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.41 -27.17 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 72.22 111.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.82 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.34 111.177 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 15.63 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.907 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -70.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.54 110.93 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -18.7 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.882 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -53.34 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.857 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.02 19.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.02 111.117 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -17.71 14.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.73 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.126 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.845 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 71.14 110.948 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -44.37 -37.44 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.04 -9.29 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.838 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 -29.53 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.123 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -33.14 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.842 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -26.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.15 111.131 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -84.94 120.5 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.156 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 18.27 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 -77.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.884 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.27 -28.55 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -53.34 58.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 71.01 110.839 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.34 111.06 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -17.68 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.24 110.865 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.57 -39.69 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.21 111.132 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.914 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 65.13 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.14 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.897 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.49 -9.21 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.886 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.24 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.118 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.79 -33.15 17.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.14 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.61 -27.0 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.82 120.48 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.178 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.59 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.911 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -28.82 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.54 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.29 59.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.04 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.101 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.73 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.55 110.894 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.73 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.1 111.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.854 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.793 0.33 . . . . 72.34 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.24 -37.61 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.906 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.0 -9.27 8.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.894 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.19 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 43.34 111.062 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 -33.18 18.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.04 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.27 -27.01 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.157 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -85.02 121.05 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.53 111.156 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 16.67 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 73.14 110.877 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.43 110.922 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -18.68 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -53.37 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.07 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.14 111.094 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -17.81 14.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.859 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.121 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.52 110.846 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 71.43 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.49 -38.41 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.919 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.49 -9.08 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 -28.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.11 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -33.19 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.932 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -27.08 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 61.54 111.137 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.84 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.13 111.108 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 16.71 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.905 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -70.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 -18.66 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.887 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -53.4 58.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 0.01 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -17.81 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.843 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.46 -39.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.32 111.181 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 75.05 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 75.01 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.46 -35.35 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.93 -10.67 8.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.896 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -28.97 64.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 74.41 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -32.83 18.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 62.25 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -26.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 74.3 111.166 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.67 120.42 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 62.3 111.174 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 18.4 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.43 110.867 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.74 -77.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.882 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -28.47 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -53.35 58.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.01 18.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.155 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.838 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.51 -39.72 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.866 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 73.43 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.47 -35.39 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.96 -10.56 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.9 64.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.064 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -87.85 -32.85 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.34 111.162 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.66 120.54 26.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 61.33 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 19.96 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.901 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -27.95 13.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.843 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -53.24 60.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.0 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.084 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -17.78 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.159 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.868 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.841 0.353 . . . . 74.34 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -41.78 -35.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.93 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -122.99 -9.39 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.98 -27.94 62.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.41 111.137 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -88.98 -32.36 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.12 110.897 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.75 -27.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 73.45 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 p -85.35 120.38 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 73.34 111.131 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 17.55 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -77.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.873 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.12 -28.88 11.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.902 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.37 58.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.911 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.4 111.088 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.4 -17.8 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.41 111.143 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.766 0.317 . . . . 71.35 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.15 -37.7 3.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.0 -9.29 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.19 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.14 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.93 -33.2 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.27 -26.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.05 111.092 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 p -85.09 121.0 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.12 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 15.77 12.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.936 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.85 -18.69 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.15 110.838 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -53.38 59.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.891 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 73.11 111.107 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 63.44 111.177 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.876 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.838 0.351 . . . . 73.41 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -44.53 -37.3 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.968 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.11 -9.23 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.894 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.18 -29.55 64.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 -33.14 19.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.38 -26.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.133 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.1 p -84.77 120.73 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 63.33 111.136 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 16.91 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.919 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 -72.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.32 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.74 -24.67 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.31 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.09 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.2 111.141 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.858 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.116 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 75.02 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.68 -38.17 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 71.11 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.43 -9.2 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.9 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.2 -28.19 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.4 111.05 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.13 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.43 110.874 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.67 -26.91 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.137 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.77 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 18.28 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.57 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -28.66 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.838 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.31 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.935 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.65 -0.0 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 61.11 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.46 -17.79 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.855 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.74 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.32 111.186 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.15 110.838 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.837 0.351 . . . . 74.12 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.66 -38.1 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.909 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.48 -9.18 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.35 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.55 111.069 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.72 -33.16 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 72.34 110.915 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.55 -27.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 p -84.81 121.09 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 73.24 111.17 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.879 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -18.68 63.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.886 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.29 59.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 75.13 110.901 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 0.05 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 61.42 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -17.8 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.47 -39.76 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.159 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.835 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.335 . . . . 75.31 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -38.05 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.928 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 10' ' ' ILE . 1.9 t80 -122.54 -9.09 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.22 -28.45 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 72.12 111.1 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -88.71 -33.26 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.4 110.848 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 7' ' ' PHE . 1.1 pp -73.36 -27.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.54 111.179 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.85 26.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.11 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.28 16.14 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.916 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 -78.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.914 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -19.26 58.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 75.21 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -54.64 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.875 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.24 -24.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.11 111.135 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -19.48 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 pt -68.95 -40.06 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.25 111.117 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.823 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.766 0.317 . . . . 72.31 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -38.14 3.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.93 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.57 -9.19 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.19 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 73.15 111.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -33.29 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.33 -27.16 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.41 111.146 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.79 121.1 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 65.34 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.55 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.912 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.939 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -18.67 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.891 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -53.38 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.44 111.132 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 -17.78 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.47 -39.71 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.43 111.166 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.836 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 74.43 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -86.65 11.37 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.98 71.76 32.38 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 74.22 110.944 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 156.14 64.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 71.35 112.334 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 34.46 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 75.43 110.916 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.91 -38.13 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -122.96 -8.03 8.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.22 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 63.23 111.089 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -34.47 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.31 110.896 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.62 -27.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.14 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 p -84.63 120.6 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 74.3 111.121 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.98 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.886 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 71.11 110.892 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.99 -28.8 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.879 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.27 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.871 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 0.0 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.23 111.148 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -17.78 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.54 -39.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.106 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.88 0.372 . . . . 75.23 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -51.91 144.94 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.68 66.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 75.04 110.894 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.23 8.32 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.75 2.3 . . . . 50.04 112.321 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -118.6 36.15 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -38.44 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 70.21 110.91 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.879 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.03 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.2 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -33.25 17.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.41 -27.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 54.04 111.143 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.81 121.13 27.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.5 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.54 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.867 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.55 110.915 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -18.62 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.916 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -53.44 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.845 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.03 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.124 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.74 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.3 111.171 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.898 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 71.45 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 180.0 139.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.917 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.04 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 71.41 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 163.26 38.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 72.13 112.335 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -118.36 39.5 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.862 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.26 -40.11 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.865 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.22 -9.98 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.861 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.22 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 74.03 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -88.65 -39.01 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 70.2 110.932 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -66.72 -27.33 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.42 111.149 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.68 121.11 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.1 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 16.63 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.53 110.938 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.932 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -18.68 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 72.24 110.893 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -53.4 58.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 55.22 111.098 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.61 -17.71 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.55 -39.69 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.13 111.102 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.842 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.81 0.338 . . . . 75.23 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 153.05 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 75.4 110.863 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.03 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 72.02 110.926 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.95 61.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 61.22 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 36.44 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.897 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.87 -38.2 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.51 -9.22 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 72.04 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.12 -28.2 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.12 111.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -33.27 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.91 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.41 -27.07 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.35 111.124 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.87 121.08 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.128 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 16.57 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.923 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -70.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.873 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.87 -18.72 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.2 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -53.34 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.876 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -0.07 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 75.54 111.103 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.72 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.874 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.46 -39.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.129 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.852 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.879 0.371 . . . . 74.43 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 50.84 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.859 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.24 160.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 63.22 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 177.64 5.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 71.1 112.303 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -118.59 35.97 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.12 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -43.58 -38.15 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.41 110.965 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.39 -9.34 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.14 110.901 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -28.24 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 41.34 111.103 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.14 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.6 -27.01 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.12 111.13 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 p -84.82 120.49 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.145 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 17.76 11.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.929 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.51 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.902 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -28.75 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.897 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.37 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.896 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.14 111.121 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 -17.69 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.897 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.57 -39.78 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.887 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.853 0.358 . . . . 74.13 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -50.22 150.03 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.97 160.71 79.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 71.1 110.919 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 73.31 112.351 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.63 36.09 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -38.21 2.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 63.35 110.927 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.25 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.51 110.885 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.28 63.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.069 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.11 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.62 -27.05 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 72.4 111.149 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -84.73 120.58 26.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 73.33 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 18.43 11.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.887 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.61 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.928 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.28 -28.58 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 71.55 110.917 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -53.33 59.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.897 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.02 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.31 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 -17.78 14.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.14 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.875 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 74.4 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 50.76 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.881 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mp -81.89 160.65 63.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.721 . . . . 73.2 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.67 10.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.631 2.221 . . . . 75.55 112.382 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 36.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.51 -38.39 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.89 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -28.11 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 54.04 111.08 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -33.27 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.917 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.41 -27.17 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 72.22 111.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.82 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.34 111.177 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 15.63 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.907 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -70.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.54 110.93 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -18.7 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.882 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -53.34 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.857 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.02 19.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.02 111.117 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -17.71 14.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.73 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.126 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.845 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 54.24 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -51.87 111.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.893 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.75 72.45 11.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 65.12 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.31 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 75.03 112.291 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.69 40.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 71.14 110.948 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -44.37 -37.44 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.04 -9.29 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.838 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 -29.53 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.123 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -33.14 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.842 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -26.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.15 111.131 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -84.94 120.5 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.156 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 18.27 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 -77.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.884 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.27 -28.55 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -53.34 58.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 71.01 110.839 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.34 111.06 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -17.68 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.24 110.865 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.57 -39.69 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.21 111.132 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.914 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 61.22 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 178.77 172.46 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.888 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tp 62.04 71.07 0.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.44 110.904 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 175.79 7.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 64.34 112.352 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 36.08 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.13 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.14 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.897 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.49 -9.21 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.886 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.24 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.118 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.79 -33.15 17.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.14 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.61 -27.0 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.82 120.48 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.178 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.59 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.911 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -28.82 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.54 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.29 59.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.04 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.101 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.73 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.55 110.894 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.73 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.1 111.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.854 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.856 0.36 . . . . 71.32 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -51.86 140.41 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.22 110.855 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.1 mt 54.38 70.55 1.64 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 75.31 110.863 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.82 37.87 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.722 2.281 . . . . 73.15 112.384 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 40.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.24 -37.61 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.906 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.0 -9.27 8.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.894 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.19 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 43.34 111.062 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 -33.18 18.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.04 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.27 -27.01 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.157 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -85.02 121.05 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.53 111.156 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 16.67 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 73.14 110.877 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.43 110.922 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -18.68 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -53.37 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.07 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.14 111.094 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -17.81 14.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.859 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.121 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.52 110.846 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 74.43 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 66.55 174.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.867 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.79 69.43 71.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.632 0.73 . . . . 75.31 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -173.25 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 72.21 112.377 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -118.51 36.07 4.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.94 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.49 -38.41 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.919 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.49 -9.08 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 -28.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.11 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -33.19 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.932 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -27.08 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 61.54 111.137 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.84 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.13 111.108 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 16.71 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.905 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -70.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 -18.66 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.887 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -53.4 58.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 0.01 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -17.81 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.843 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.46 -39.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.32 111.181 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 75.05 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.811 0.339 . . . . 74.52 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 66.15 152.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.12 160.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 74.33 110.937 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 173.32 11.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 53.0 112.332 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 34.71 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 75.01 110.946 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.46 -35.35 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.93 -10.67 8.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.896 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -28.97 64.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 74.41 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -32.83 18.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 62.25 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -26.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 74.3 111.166 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.67 120.42 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 62.3 111.174 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 18.4 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.43 110.867 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.74 -77.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.882 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -28.47 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -53.35 58.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.01 18.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.155 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.838 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.51 -39.72 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.866 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 71.22 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 66.62 161.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.874 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.5 mt 55.5 71.73 1.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 72.21 110.904 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 175.57 7.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 62.5 112.353 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.59 34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.92 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.47 -35.39 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.96 -10.56 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.9 64.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.064 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -87.85 -32.85 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.34 111.162 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.66 120.54 26.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 61.33 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 19.96 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.901 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -27.95 13.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.843 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -53.24 60.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.0 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.084 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -17.78 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.159 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.868 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.821 0.343 . . . . 73.11 110.913 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 179.94 139.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.1 110.89 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.9 mt 58.53 69.65 1.39 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.594 0.711 . . . . 71.21 110.906 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 75.4 112.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 29.37 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.886 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -41.78 -35.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.93 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -122.99 -9.39 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.98 -27.94 62.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.41 111.137 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -88.98 -32.36 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.12 110.897 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.75 -27.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 73.45 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 p -85.35 120.38 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 73.34 111.131 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 17.55 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -77.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.873 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.12 -28.88 11.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.902 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.37 58.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.911 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.4 111.088 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.4 -17.8 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.41 111.143 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.904 0.383 . . . . 74.45 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -50.28 156.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.03 159.66 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 74.41 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 163.5 38.02 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 74.22 112.35 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 40.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 71.35 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.15 -37.7 3.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.0 -9.29 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.19 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.14 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.93 -33.2 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.27 -26.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.05 111.092 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 p -85.09 121.0 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.12 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 15.77 12.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.936 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.85 -18.69 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.15 110.838 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -53.38 59.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.891 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 73.11 111.107 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 63.44 111.177 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.876 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.372 . . . . 73.53 110.847 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.4 p90 179.95 157.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.91 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mt 54.68 71.69 1.26 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 73.44 110.932 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.97 6.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 72.21 112.325 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 40.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.869 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -44.53 -37.3 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.968 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.11 -9.23 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.894 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.18 -29.55 64.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 -33.14 19.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.38 -26.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.133 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.1 p -84.77 120.73 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 63.33 111.136 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 16.91 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.919 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 -72.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.32 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.74 -24.67 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.31 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.09 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.2 111.141 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.858 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.116 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 65.25 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.58 20.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.84 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.24 73.23 27.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.719 . . . . 64.41 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.6 18.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 72.04 112.348 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.59 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.68 -38.17 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 71.11 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.43 -9.2 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.9 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.2 -28.19 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.4 111.05 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.13 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.43 110.874 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.67 -26.91 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.137 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.77 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 18.28 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.57 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -28.66 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.838 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.31 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.935 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.65 -0.0 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 61.11 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.46 -17.79 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.855 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.44 -39.74 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.32 111.186 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.15 110.838 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 71.44 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 66.23 164.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.903 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.06 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 75.11 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.78 59.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 74.31 112.321 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.3 35.7 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 74.12 110.874 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.66 -38.1 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.909 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.48 -9.18 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.35 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.55 111.069 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.72 -33.16 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 72.34 110.915 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.55 -27.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 p -84.81 121.09 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 73.24 111.17 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.879 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -18.68 63.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.886 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.29 59.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 75.13 110.901 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 0.05 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 61.42 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -17.8 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.47 -39.76 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.159 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.835 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.897 0.379 . . . . 73.23 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 50.84 -169.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.881 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.48 71.19 82.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 73.04 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 87.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 65.2 112.329 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.37 36.12 4.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.866 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -38.05 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.928 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 10' ' ' ILE . 1.9 t80 -122.54 -9.09 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.22 -28.45 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 72.12 111.1 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -88.71 -33.26 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.4 110.848 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 7' ' ' PHE . 1.1 pp -73.36 -27.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.54 111.179 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.85 26.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.11 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.28 16.14 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.916 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 -78.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.914 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -19.26 58.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 75.21 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -54.64 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.875 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.24 -24.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.11 111.135 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -19.48 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 pt -68.95 -40.06 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.25 111.117 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.823 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 64.41 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -86.68 11.38 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.4 110.912 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.92 160.69 76.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 74.54 110.927 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 107.48 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 70.1 112.375 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -118.55 36.45 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -38.14 3.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.45 110.93 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.57 -9.19 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.19 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 73.15 111.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -33.29 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.33 -27.16 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.41 111.146 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.79 121.1 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 65.34 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.55 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.912 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.939 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -18.67 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.891 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -53.38 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.44 111.132 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 -17.78 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.47 -39.71 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.43 111.166 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.836 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.821 0.343 . . . . 73.409999999999997 110.916 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.91 -38.13 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.439999999999998 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -122.96 -8.03 8.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 63.229999999999997 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -34.47 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.896 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -71.62 -27.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 111.14 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 p -84.63 120.6 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 74.299999999999997 111.121 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.98 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.439999999999998 110.886 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 71.109999999999999 110.892 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -50.99 -28.8 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.129999999999995 110.879 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.27 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 74.109999999999999 110.871 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 0.0 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 111.148 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -17.78 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.54 -39.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 111.106 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 ptpt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 55.030000000000001 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -38.44 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.91 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.009999999999998 110.879 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.03 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.200000000000003 111.118 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -33.25 17.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.040000000000006 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.143 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.81 121.13 27.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.439999999999998 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.54 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 61.219999999999999 110.867 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 110.915 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.62 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 53.240000000000002 110.916 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -53.44 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.845 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.03 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 111.124 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.450000000000003 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.48 -39.74 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.171 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.898 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 ptpt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.787 0.327 . . . . 65.099999999999994 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.26 -40.11 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 65.239999999999995 110.865 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.22 -9.98 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.861 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.551 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -70.34 -28.22 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.075 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -88.65 -39.01 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 70.200000000000003 110.932 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.2 pp -66.72 -27.33 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.149 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.68 121.11 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 16.63 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.938 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.932 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -61.6 -18.68 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -53.4 58.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.200000000000003 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 55.219999999999999 111.098 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.61 -17.71 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.55 -39.69 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 111.102 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.842 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 61.200000000000003 110.897 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.87 -38.2 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.349999999999994 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.51 -9.22 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 61.310000000000002 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.12 -28.2 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 111.107 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -33.27 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.91 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.07 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.349999999999994 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.87 121.08 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.128 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 16.57 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.923 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -70.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.873 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.1 m-20 -61.87 -18.72 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -53.34 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.876 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -0.07 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 74.049999999999997 111.103 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.72 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.874 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 111.129 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.852 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.834 0.349 . . . . 75.120000000000005 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -43.58 -38.15 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.409999999999997 110.965 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.39 -9.34 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.140000000000001 110.901 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.24 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 13.24 111.103 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.14 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 53.32 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.6 -27.01 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 111.13 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 p -84.82 120.49 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.145 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 17.76 11.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.929 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.51 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.902 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -51.12 -28.75 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.430000000000007 110.897 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.37 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.896 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.121 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 -17.69 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.897 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.78 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 111.101 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.887 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.828 0.346 . . . . 75.409999999999997 110.879 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -38.21 2.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 63.140000000000001 110.927 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.42 -9.25 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.28 63.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.069 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.11 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.62 -27.05 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 111.149 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -84.73 120.58 26.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 18.43 11.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 110.887 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.61 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 55.200000000000003 110.928 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.28 -28.58 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 71.549999999999997 110.917 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -53.33 59.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 61.240000000000002 110.897 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.02 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 -17.78 14.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.49 -39.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.140000000000001 111.139 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.875 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 73.420000000000002 110.926 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.51 -38.39 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 63.039999999999999 110.89 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.239999999999995 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.11 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 53.439999999999998 111.08 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -33.27 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.917 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.17 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 111.112 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.82 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.177 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 15.63 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.907 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -70.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 70.140000000000001 110.93 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.1 -18.7 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 70.120000000000005 110.882 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -53.34 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.120000000000005 110.857 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.02 19.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.019999999999996 111.117 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -17.71 14.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 62.340000000000003 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.52 -39.73 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.530000000000001 111.126 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.845 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 71.140000000000001 110.948 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -44.37 -37.44 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.04 -9.29 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.838 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -29.53 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 111.123 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -33.14 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -26.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.131 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -84.94 120.5 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 43.100000000000001 111.156 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 18.27 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 -77.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 70.040000000000006 110.884 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -51.27 -28.55 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.866 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -53.34 58.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 64.450000000000003 110.839 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.340000000000003 111.06 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -17.68 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.239999999999995 110.865 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.69 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.132 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.914 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 65.129999999999995 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.14 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.897 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.21 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.24 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 55.100000000000001 111.118 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.79 -33.15 17.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 61.420000000000002 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.61 -27.0 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 64.299999999999997 111.116 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.82 120.48 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 111.178 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.59 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.911 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.06 -28.82 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 110.849 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.29 59.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.04 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 45.409999999999997 111.101 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.73 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.894 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.5 -39.73 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 111.146 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.854 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.673 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.793 0.33 . . . . 72.340000000000003 110.901 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.24 -37.61 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.239999999999995 110.906 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.1 t80 -123.0 -9.27 8.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.409999999999997 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.25 -29.19 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 43.340000000000003 111.062 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 -33.18 18.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.040000000000006 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -27.01 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 111.157 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -85.02 121.05 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 111.156 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 16.67 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 71.049999999999997 110.877 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.430000000000007 110.922 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.03 -18.68 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 110.889 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -53.37 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.349999999999994 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.07 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 111.094 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -17.81 14.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 110.859 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.030000000000001 111.121 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 70.439999999999998 110.846 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 ptpt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 71.430000000000007 110.94 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.49 -38.41 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 110.919 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.08 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.239999999999995 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.23 -28.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.349999999999994 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -33.19 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -27.08 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 45.030000000000001 111.137 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.84 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 111.108 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 16.71 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.905 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -70.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -61.7 -18.66 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.439999999999998 110.887 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -53.4 58.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 0.01 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -17.81 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.843 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.181 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 74.450000000000003 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 74.209999999999994 110.946 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.46 -35.35 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.93 -10.67 8.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.53 -28.97 64.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 72.219999999999999 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -32.83 18.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 61.530000000000001 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -74.0 -26.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 111.166 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.67 120.42 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 62.299999999999997 111.174 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 18.4 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.030000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.74 -77.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.882 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -51.37 -28.47 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 61.530000000000001 110.872 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -53.35 58.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.01 18.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 111.155 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.838 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.51 -39.72 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 55.219999999999999 111.13 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.430000000000007 110.866 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 62.43 110.92 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.47 -35.39 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.96 -10.56 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.63 -28.9 64.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 111.064 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -87.85 -32.85 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.109999999999999 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.162 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.66 120.54 26.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 19.96 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 60.130000000000003 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.319999999999993 110.901 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.78 -27.95 13.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.409999999999997 110.843 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -53.24 60.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.0 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 54.210000000000001 111.084 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -17.78 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 110.868 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.841 0.353 . . . . 74.340000000000003 110.886 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -41.78 -35.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 53.530000000000001 110.93 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.7 t80 -122.99 -9.39 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.861 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.98 -27.94 62.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 111.137 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -88.98 -32.36 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.120000000000005 110.897 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.75 -27.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 63.520000000000003 111.091 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 p -85.35 120.38 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.131 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 17.55 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.040000000000006 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -77.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.873 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -51.12 -28.88 11.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.902 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.37 58.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.911 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.400000000000006 111.088 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.4 -17.8 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 111.143 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.766 0.317 . . . . 64.239999999999995 110.855 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.15 -37.7 3.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.0 -9.29 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -29.19 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 111.14 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.93 -33.2 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -26.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.430000000000007 111.092 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 p -85.09 121.0 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 111.12 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 15.77 12.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.310000000000002 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.540000000000006 110.936 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -62.85 -18.69 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.150000000000006 110.838 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -53.38 59.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.891 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 52.43 111.107 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 63.439999999999998 111.177 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 72.349999999999994 110.876 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.672 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.869 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -44.53 -37.3 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 60.439999999999998 110.968 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.11 -9.23 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.894 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -29.55 64.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 111.095 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 -33.14 19.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.340000000000003 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.38 -26.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.43 111.133 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.1 p -84.77 120.73 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 45.229999999999997 111.136 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 16.91 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.919 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 -72.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 70.299999999999997 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 18' ' ' ILE . 2.3 m-80 -54.74 -24.67 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 62.450000000000003 110.881 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.31 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.010000000000005 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.09 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 61.399999999999999 111.141 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 64.540000000000006 110.858 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 45.109999999999999 111.116 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 110.857 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.68 -38.17 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 63.310000000000002 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.43 -9.2 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.9 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -28.19 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.400000000000006 111.05 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.13 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.129999999999995 110.874 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.67 -26.91 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 111.137 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.77 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 18.28 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.57 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 64.340000000000003 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.22 -28.66 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.838 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.31 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.935 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.65 -0.0 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 33.32 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.46 -17.79 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.855 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.74 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 62.439999999999998 111.186 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.150000000000006 110.838 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.837 0.351 . . . . 73.450000000000003 110.874 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.66 -38.1 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.209999999999994 110.909 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.48 -9.18 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 62.119999999999997 110.862 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -28.35 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 111.069 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.72 -33.16 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 72.340000000000003 110.915 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.55 -27.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 111.102 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 p -84.81 121.09 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 54.140000000000001 111.17 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.879 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -63.18 -18.68 63.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.886 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.29 59.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 75.129999999999995 110.901 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 0.05 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 52.219999999999999 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -17.8 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.510000000000005 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.76 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.159 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.835 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.335 . . . . 75.109999999999999 110.866 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -38.05 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.928 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.54 -9.09 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -28.45 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 64.310000000000002 111.1 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -88.71 -33.26 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 110.848 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.36 -27.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.210000000000001 111.179 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.85 26.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 111.11 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.28 16.14 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.916 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 -78.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.914 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -19.26 58.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 75.209999999999994 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -99.3 -54.64 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 61.32 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.24 -24.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.109999999999999 111.135 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -19.48 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 70.129999999999995 110.839 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 15' ' ' MET . 6.0 pt -68.95 -40.06 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 111.117 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.823 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.6 ptpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.766 0.317 . . . . 64.140000000000001 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -38.14 3.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.93 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.57 -9.19 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.19 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -33.29 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.33 -27.16 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 73.140000000000001 111.146 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.79 121.1 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 42.210000000000001 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.55 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.912 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 65.439999999999998 110.939 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.67 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.010000000000005 110.891 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -53.38 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 62.310000000000002 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 72.25 111.132 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 -17.78 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.420000000000002 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.71 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 71.120000000000005 111.166 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.836 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 74.430000000000007 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -86.65 11.37 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.98 71.76 32.38 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 73.329999999999998 110.944 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 156.14 64.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 71.349999999999994 112.334 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.54 34.46 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.409999999999997 110.916 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.91 -38.13 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.439999999999998 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -122.96 -8.03 8.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 63.229999999999997 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -34.47 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.896 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -71.62 -27.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 111.14 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 p -84.63 120.6 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 74.299999999999997 111.121 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.98 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.439999999999998 110.886 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 71.109999999999999 110.892 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -50.99 -28.8 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.129999999999995 110.879 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.27 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 74.109999999999999 110.871 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 0.0 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 111.148 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -17.78 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.54 -39.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 111.106 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.88 0.372 . . . . 75.230000000000004 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -51.91 144.94 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 75.230000000000004 110.893 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.68 66.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 73.420000000000002 110.894 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.23 8.32 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.75 2.3 . . . . 40.329999999999998 112.321 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 ptpt -118.6 36.15 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 55.030000000000001 110.908 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -38.44 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.91 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.009999999999998 110.879 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.03 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.200000000000003 111.118 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -33.25 17.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.040000000000006 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.143 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.81 121.13 27.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.439999999999998 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.54 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 61.219999999999999 110.867 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 110.915 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.62 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 53.240000000000002 110.916 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -53.44 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.845 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.03 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 111.124 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.450000000000003 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.48 -39.74 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.171 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.898 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 70.120000000000005 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 180.0 139.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.917 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.04 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 71.409999999999997 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 163.26 38.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 72.129999999999995 112.335 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 ptpt -118.36 39.5 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.099999999999994 110.862 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.26 -40.11 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 65.239999999999995 110.865 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.22 -9.98 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.861 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -70.34 -28.22 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.075 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -88.65 -39.01 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 70.200000000000003 110.932 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.2 pp -66.72 -27.33 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.149 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.68 121.11 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 16.63 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.938 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.932 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -61.6 -18.68 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -53.4 58.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.200000000000003 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 55.219999999999999 111.098 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.61 -17.71 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.55 -39.69 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 111.102 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.842 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.81 0.338 . . . . 62.210000000000001 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 153.05 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 70.209999999999994 110.863 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.03 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 62.450000000000003 110.926 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.676 ' HB2' HD23 ' A' ' 6' ' ' LEU . 53.8 Cg_endo -69.8 156.95 61.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 43.219999999999999 112.317 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.58 36.44 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.200000000000003 110.897 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD23 ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -43.87 -38.2 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.349999999999994 110.919 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.51 -9.22 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 61.310000000000002 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.12 -28.2 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 111.107 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -33.27 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.91 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.07 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.349999999999994 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.87 121.08 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.128 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 16.57 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.923 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -70.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.873 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.1 m-20 -61.87 -18.72 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -53.34 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.876 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -0.07 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 74.049999999999997 111.103 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.72 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.874 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 111.129 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.852 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.879 0.371 . . . . 74.430000000000007 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 50.84 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.239999999999995 110.859 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.24 160.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 53.439999999999998 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 177.64 5.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 63.130000000000003 112.303 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 3.4 ptpt -118.59 35.97 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.120000000000005 110.944 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -43.58 -38.15 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.409999999999997 110.965 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.39 -9.34 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.140000000000001 110.901 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.24 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 13.24 111.103 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.14 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 53.32 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.6 -27.01 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 111.13 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 p -84.82 120.49 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.145 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 17.76 11.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.929 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.51 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.902 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -51.12 -28.75 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.430000000000007 110.897 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.37 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.896 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.121 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 -17.69 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.897 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.78 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 111.101 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.887 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -50.22 150.03 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.97 160.71 79.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 71.099999999999994 110.919 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 64.25 112.351 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -118.63 36.09 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -38.21 2.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 63.140000000000001 110.927 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.42 -9.25 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.28 63.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.069 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.11 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.62 -27.05 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 111.149 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -84.73 120.58 26.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 18.43 11.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 110.887 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.61 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 55.200000000000003 110.928 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.28 -28.58 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 71.549999999999997 110.917 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -53.33 59.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 61.240000000000002 110.897 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.02 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 -17.78 14.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.49 -39.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.140000000000001 111.139 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.875 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 74.400000000000006 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 50.76 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 110.881 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mp -81.89 160.65 63.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.721 . . . . 63.200000000000003 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.67 10.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.631 2.221 . . . . 62.240000000000002 112.382 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.54 36.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.926 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.51 -38.39 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 63.039999999999999 110.89 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.239999999999995 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.11 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 53.439999999999998 111.08 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -33.27 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.917 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.17 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 111.112 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.82 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.177 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 15.63 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.907 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -70.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 70.140000000000001 110.93 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.1 -18.7 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 70.120000000000005 110.882 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -53.34 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.120000000000005 110.857 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.02 19.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.019999999999996 111.117 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -17.71 14.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 62.340000000000003 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.52 -39.73 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.530000000000001 111.126 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.845 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 53.100000000000001 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -51.87 111.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 54.219999999999999 110.893 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.75 72.45 11.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 61.310000000000002 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.31 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 75.030000000000001 112.291 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.69 40.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 71.140000000000001 110.948 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -44.37 -37.44 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.04 -9.29 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.838 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -29.53 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 111.123 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -33.14 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -26.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.131 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -84.94 120.5 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 43.100000000000001 111.156 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 18.27 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 -77.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 70.040000000000006 110.884 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -51.27 -28.55 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.866 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -53.34 58.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 64.450000000000003 110.839 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.340000000000003 111.06 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -17.68 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.239999999999995 110.865 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.69 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.132 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.914 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 61.219999999999999 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 178.77 172.46 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 60.210000000000001 110.888 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tp 62.04 71.07 0.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.129999999999995 110.904 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 175.79 7.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 43.020000000000003 112.352 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.56 36.08 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.129999999999995 110.901 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.14 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.897 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.21 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.24 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 55.100000000000001 111.118 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.79 -33.15 17.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 61.420000000000002 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.61 -27.0 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 64.299999999999997 111.116 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.82 120.48 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 111.178 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.59 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.911 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.06 -28.82 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 110.849 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.29 59.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.04 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 45.409999999999997 111.101 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.73 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.894 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.5 -39.73 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 111.146 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.854 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.856 0.36 . . . . 71.319999999999993 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -51.86 140.41 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.855 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.1 mt 54.38 70.55 1.64 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 75.310000000000002 110.863 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.82 37.87 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.722 2.281 . . . . 71.510000000000005 112.384 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.673 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.61 40.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.901 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.24 -37.61 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.239999999999995 110.906 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.1 t80 -123.0 -9.27 8.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.409999999999997 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.25 -29.19 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 43.340000000000003 111.062 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 -33.18 18.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.040000000000006 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -27.01 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 111.157 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -85.02 121.05 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 111.156 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 16.67 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 71.049999999999997 110.877 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.430000000000007 110.922 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.03 -18.68 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 110.889 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -53.37 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.349999999999994 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.07 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 111.094 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -17.81 14.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 110.859 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.030000000000001 111.121 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 70.439999999999998 110.846 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 74.430000000000007 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 66.55 174.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 43.100000000000001 110.867 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.79 69.43 71.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.632 0.73 . . . . 75.310000000000002 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -173.25 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 72.209999999999994 112.377 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 ptpt -118.51 36.07 4.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 71.430000000000007 110.94 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.49 -38.41 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 110.919 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.08 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.239999999999995 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.23 -28.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.349999999999994 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -33.19 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -27.08 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 45.030000000000001 111.137 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.84 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 111.108 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 16.71 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.905 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -70.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -61.7 -18.66 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.439999999999998 110.887 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -53.4 58.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 0.01 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -17.81 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.843 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.181 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 74.450000000000003 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.811 0.339 . . . . 74.519999999999996 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 66.15 152.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.12 160.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 73.129999999999995 110.937 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 173.32 11.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 53.0 112.332 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.54 34.71 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.946 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.46 -35.35 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.93 -10.67 8.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.53 -28.97 64.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 72.219999999999999 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -32.83 18.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 61.530000000000001 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -74.0 -26.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 111.166 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.67 120.42 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 62.299999999999997 111.174 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 18.4 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.030000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.74 -77.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.882 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -51.37 -28.47 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 61.530000000000001 110.872 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -53.35 58.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.01 18.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 111.155 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.838 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.51 -39.72 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 55.219999999999999 111.13 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.430000000000007 110.866 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 71.219999999999999 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 66.62 161.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 54.210000000000001 110.874 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.5 mt 55.5 71.73 1.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 72.209999999999994 110.904 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 175.57 7.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 51.210000000000001 112.353 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.59 34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 62.43 110.92 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.47 -35.39 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.96 -10.56 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.63 -28.9 64.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 111.064 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -87.85 -32.85 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.109999999999999 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.162 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.66 120.54 26.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 19.96 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 60.130000000000003 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.319999999999993 110.901 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.78 -27.95 13.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.409999999999997 110.843 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -53.24 60.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.0 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 54.210000000000001 111.084 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -17.78 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 110.868 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.821 0.343 . . . . 51.399999999999999 110.913 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 179.94 139.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.099999999999994 110.89 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.9 mt 58.53 69.65 1.39 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.594 0.711 . . . . 71.209999999999994 110.906 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 65.099999999999994 112.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -119.86 29.37 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 74.340000000000003 110.886 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -41.78 -35.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 53.530000000000001 110.93 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.7 t80 -122.99 -9.39 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.861 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.98 -27.94 62.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 111.137 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -88.98 -32.36 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.120000000000005 110.897 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.75 -27.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 63.520000000000003 111.091 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 p -85.35 120.38 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.131 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 17.55 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.040000000000006 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -77.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.873 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -51.12 -28.88 11.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.902 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.37 58.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.911 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.400000000000006 111.088 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.4 -17.8 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 111.143 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.904 0.383 . . . . 74.450000000000003 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -50.28 156.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.03 159.66 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 65.310000000000002 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 163.5 38.02 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 74.219999999999999 112.35 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.53 40.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 64.239999999999995 110.855 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.15 -37.7 3.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.0 -9.29 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -29.19 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 111.14 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.93 -33.2 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -26.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.430000000000007 111.092 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 p -85.09 121.0 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 111.12 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 15.77 12.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.310000000000002 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.540000000000006 110.936 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -62.85 -18.69 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.150000000000006 110.838 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -53.38 59.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.891 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 52.43 111.107 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 63.439999999999998 111.177 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 72.349999999999994 110.876 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.372 . . . . 73.530000000000001 110.847 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.4 p90 179.95 157.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 70.25 110.91 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mt 54.68 71.69 1.26 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 55.039999999999999 110.932 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.97 6.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 72.209999999999994 112.325 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.672 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.67 40.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.869 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -44.53 -37.3 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 60.439999999999998 110.968 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.11 -9.23 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.894 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -29.55 64.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 111.095 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 -33.14 19.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.340000000000003 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.38 -26.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.43 111.133 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.1 p -84.77 120.73 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 45.229999999999997 111.136 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 16.91 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.919 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 -72.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 70.299999999999997 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 18' ' ' ILE . 2.3 m-80 -54.74 -24.67 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 62.450000000000003 110.881 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.31 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.010000000000005 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.09 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 61.399999999999999 111.141 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 64.540000000000006 110.858 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 45.109999999999999 111.116 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 65.25 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.58 20.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.84 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.24 73.23 27.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.719 . . . . 54.509999999999998 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.6 18.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 72.040000000000006 112.348 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -118.59 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.857 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.68 -38.17 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 63.310000000000002 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.43 -9.2 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.9 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -28.19 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.400000000000006 111.05 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.13 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.129999999999995 110.874 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.67 -26.91 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 111.137 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.77 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 18.28 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.57 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 64.340000000000003 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.22 -28.66 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.838 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.31 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.935 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.65 -0.0 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 33.32 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.46 -17.79 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.855 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.74 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 62.439999999999998 111.186 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.150000000000006 110.838 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 65.430000000000007 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 66.23 164.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 110.903 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.06 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 75.109999999999999 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.78 59.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 54.509999999999998 112.321 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.3 35.7 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 73.450000000000003 110.874 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.66 -38.1 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.209999999999994 110.909 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.48 -9.18 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 62.119999999999997 110.862 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -28.35 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 111.069 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.72 -33.16 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 72.340000000000003 110.915 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.55 -27.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 111.102 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 p -84.81 121.09 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 54.140000000000001 111.17 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.879 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -63.18 -18.68 63.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.886 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.29 59.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 75.129999999999995 110.901 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 0.05 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 52.219999999999999 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -17.8 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.510000000000005 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.76 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.159 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.835 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.897 0.379 . . . . 51.539999999999999 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 50.84 -169.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.881 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.48 71.19 82.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 55.420000000000002 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 87.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 62.310000000000002 112.329 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.37 36.12 4.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.866 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -38.05 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.928 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.54 -9.09 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -28.45 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 64.310000000000002 111.1 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -88.71 -33.26 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 110.848 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.36 -27.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.210000000000001 111.179 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.85 26.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 111.11 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.28 16.14 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.916 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 -78.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.914 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -19.26 58.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 75.209999999999994 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -99.3 -54.64 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 61.32 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.24 -24.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.109999999999999 111.135 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -19.48 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 70.129999999999995 110.839 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 15' ' ' MET . 6.0 pt -68.95 -40.06 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 111.117 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.823 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 64.409999999999997 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -86.68 11.38 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.530000000000001 110.912 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.92 160.69 76.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 62.439999999999998 110.927 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 107.48 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 70.099999999999994 112.375 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.6 ptpt -118.55 36.45 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.874 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -38.14 3.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.93 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.57 -9.19 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.19 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -33.29 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.33 -27.16 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 73.140000000000001 111.146 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.79 121.1 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 42.210000000000001 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.55 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.912 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 65.439999999999998 110.939 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.67 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.010000000000005 110.891 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -53.38 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 62.310000000000002 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 72.25 111.132 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 -17.78 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.420000000000002 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.71 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 71.120000000000005 111.166 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.836 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.821 0.343 . . . . 73.409999999999997 110.916 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.91 -38.13 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.439999999999998 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -122.96 -8.03 8.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 63.229999999999997 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -34.47 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.896 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -71.62 -27.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 111.14 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 p -84.63 120.6 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 74.299999999999997 111.121 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.98 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.439999999999998 110.886 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 71.109999999999999 110.892 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -50.99 -28.8 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.129999999999995 110.879 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.27 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 74.109999999999999 110.871 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 0.0 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 111.148 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -17.78 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.54 -39.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 111.106 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 ptpt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 55.030000000000001 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -38.44 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.91 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.009999999999998 110.879 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.03 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.200000000000003 111.118 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -33.25 17.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.040000000000006 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.143 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.81 121.13 27.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.439999999999998 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.54 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 61.219999999999999 110.867 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 110.915 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.62 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 53.240000000000002 110.916 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -53.44 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.845 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.03 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 111.124 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.450000000000003 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.48 -39.74 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.171 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.898 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 ptpt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.787 0.327 . . . . 65.099999999999994 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.26 -40.11 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 65.239999999999995 110.865 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.22 -9.98 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.861 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.551 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -70.34 -28.22 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.075 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -88.65 -39.01 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 70.200000000000003 110.932 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.2 pp -66.72 -27.33 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.149 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.68 121.11 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 16.63 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.938 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.932 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -61.6 -18.68 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -53.4 58.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.200000000000003 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 55.219999999999999 111.098 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.61 -17.71 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.55 -39.69 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 111.102 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.842 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 61.200000000000003 110.897 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.87 -38.2 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.349999999999994 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.51 -9.22 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 61.310000000000002 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.12 -28.2 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 111.107 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -33.27 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.91 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.07 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.349999999999994 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.87 121.08 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.128 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 16.57 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.923 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -70.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.873 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.1 m-20 -61.87 -18.72 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -53.34 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.876 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -0.07 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 74.049999999999997 111.103 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.72 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.874 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 111.129 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.852 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.834 0.349 . . . . 75.120000000000005 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -43.58 -38.15 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.409999999999997 110.965 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.39 -9.34 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.140000000000001 110.901 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.24 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 13.24 111.103 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.14 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 53.32 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.6 -27.01 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 111.13 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 p -84.82 120.49 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.145 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 17.76 11.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.929 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.51 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.902 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -51.12 -28.75 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.430000000000007 110.897 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.37 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.896 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.121 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 -17.69 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.897 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.78 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 111.101 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.887 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.828 0.346 . . . . 75.409999999999997 110.879 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -38.21 2.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 63.140000000000001 110.927 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.42 -9.25 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.28 63.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.069 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.11 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.62 -27.05 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 111.149 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -84.73 120.58 26.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 18.43 11.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 110.887 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.61 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 55.200000000000003 110.928 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.28 -28.58 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 71.549999999999997 110.917 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -53.33 59.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 61.240000000000002 110.897 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.02 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 -17.78 14.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.49 -39.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.140000000000001 111.139 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.875 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 73.420000000000002 110.926 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.51 -38.39 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 63.039999999999999 110.89 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.239999999999995 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.11 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 53.439999999999998 111.08 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -33.27 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.917 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.17 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 111.112 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.82 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.177 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 15.63 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.907 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -70.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 70.140000000000001 110.93 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.1 -18.7 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 70.120000000000005 110.882 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -53.34 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.120000000000005 110.857 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.02 19.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.019999999999996 111.117 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -17.71 14.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 62.340000000000003 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.52 -39.73 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.530000000000001 111.126 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.845 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 71.140000000000001 110.948 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -44.37 -37.44 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.04 -9.29 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.838 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -29.53 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 111.123 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -33.14 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -26.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.131 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -84.94 120.5 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 43.100000000000001 111.156 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 18.27 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 -77.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 70.040000000000006 110.884 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -51.27 -28.55 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.866 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -53.34 58.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 64.450000000000003 110.839 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.340000000000003 111.06 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -17.68 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.239999999999995 110.865 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.69 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.132 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.914 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 65.129999999999995 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.14 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.897 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.21 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.24 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 55.100000000000001 111.118 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.79 -33.15 17.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 61.420000000000002 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.61 -27.0 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 64.299999999999997 111.116 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.82 120.48 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 111.178 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.59 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.911 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.06 -28.82 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 110.849 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.29 59.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.04 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 45.409999999999997 111.101 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.73 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.894 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.5 -39.73 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 111.146 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.854 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.673 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.793 0.33 . . . . 72.340000000000003 110.901 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.24 -37.61 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.239999999999995 110.906 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.1 t80 -123.0 -9.27 8.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.409999999999997 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.25 -29.19 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 43.340000000000003 111.062 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 -33.18 18.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.040000000000006 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -27.01 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 111.157 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -85.02 121.05 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 111.156 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 16.67 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 71.049999999999997 110.877 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.430000000000007 110.922 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.03 -18.68 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 110.889 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -53.37 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.349999999999994 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.07 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 111.094 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -17.81 14.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 110.859 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.030000000000001 111.121 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 70.439999999999998 110.846 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 ptpt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 71.430000000000007 110.94 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.49 -38.41 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 110.919 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.08 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.239999999999995 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.23 -28.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.349999999999994 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -33.19 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -27.08 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 45.030000000000001 111.137 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.84 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 111.108 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 16.71 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.905 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -70.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -61.7 -18.66 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.439999999999998 110.887 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -53.4 58.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 0.01 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -17.81 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.843 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.181 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 74.450000000000003 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 74.209999999999994 110.946 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.46 -35.35 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.93 -10.67 8.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.53 -28.97 64.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 72.219999999999999 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -32.83 18.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 61.530000000000001 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -74.0 -26.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 111.166 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.67 120.42 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 62.299999999999997 111.174 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 18.4 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.030000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.74 -77.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.882 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -51.37 -28.47 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 61.530000000000001 110.872 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -53.35 58.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.01 18.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 111.155 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.838 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.51 -39.72 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 55.219999999999999 111.13 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.430000000000007 110.866 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 62.43 110.92 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.47 -35.39 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.96 -10.56 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.63 -28.9 64.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 111.064 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -87.85 -32.85 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.109999999999999 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.162 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.66 120.54 26.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 19.96 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 60.130000000000003 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.319999999999993 110.901 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.78 -27.95 13.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.409999999999997 110.843 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -53.24 60.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.0 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 54.210000000000001 111.084 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -17.78 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 110.868 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.841 0.353 . . . . 74.340000000000003 110.886 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -41.78 -35.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 53.530000000000001 110.93 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.7 t80 -122.99 -9.39 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.861 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.98 -27.94 62.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 111.137 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -88.98 -32.36 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.120000000000005 110.897 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.75 -27.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 63.520000000000003 111.091 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 p -85.35 120.38 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.131 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 17.55 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.040000000000006 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -77.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.873 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -51.12 -28.88 11.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.902 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.37 58.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.911 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.400000000000006 111.088 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.4 -17.8 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 111.143 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.766 0.317 . . . . 64.239999999999995 110.855 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.15 -37.7 3.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.0 -9.29 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -29.19 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 111.14 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.93 -33.2 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -26.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.430000000000007 111.092 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 p -85.09 121.0 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 111.12 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 15.77 12.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.310000000000002 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.540000000000006 110.936 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -62.85 -18.69 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.150000000000006 110.838 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -53.38 59.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.891 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 52.43 111.107 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 63.439999999999998 111.177 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 72.349999999999994 110.876 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.672 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.869 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -44.53 -37.3 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 60.439999999999998 110.968 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.11 -9.23 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.894 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -29.55 64.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 111.095 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 -33.14 19.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.340000000000003 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.38 -26.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.43 111.133 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.1 p -84.77 120.73 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 45.229999999999997 111.136 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 16.91 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.919 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 -72.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 70.299999999999997 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 18' ' ' ILE . 2.3 m-80 -54.74 -24.67 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 62.450000000000003 110.881 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.31 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.010000000000005 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.09 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 61.399999999999999 111.141 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 64.540000000000006 110.858 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 45.109999999999999 111.116 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 110.857 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.68 -38.17 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 63.310000000000002 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.43 -9.2 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.9 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -28.19 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.400000000000006 111.05 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.13 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.129999999999995 110.874 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.67 -26.91 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 111.137 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.77 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 18.28 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.57 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 64.340000000000003 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.22 -28.66 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.838 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.31 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.935 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.65 -0.0 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 33.32 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.46 -17.79 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.855 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.74 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 62.439999999999998 111.186 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.150000000000006 110.838 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.837 0.351 . . . . 73.450000000000003 110.874 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.66 -38.1 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.209999999999994 110.909 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.48 -9.18 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 62.119999999999997 110.862 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -28.35 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 111.069 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.72 -33.16 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 72.340000000000003 110.915 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.55 -27.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 111.102 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 p -84.81 121.09 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 54.140000000000001 111.17 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.879 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -63.18 -18.68 63.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.886 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.29 59.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 75.129999999999995 110.901 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 0.05 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 52.219999999999999 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -17.8 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.510000000000005 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.76 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.159 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.835 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.335 . . . . 75.109999999999999 110.866 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -38.05 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.928 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.54 -9.09 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -28.45 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 64.310000000000002 111.1 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -88.71 -33.26 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 110.848 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.36 -27.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.210000000000001 111.179 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.85 26.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 111.11 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.28 16.14 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.916 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 -78.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.914 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -19.26 58.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 75.209999999999994 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -99.3 -54.64 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 61.32 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.24 -24.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.109999999999999 111.135 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -19.48 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 70.129999999999995 110.839 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 15' ' ' MET . 6.0 pt -68.95 -40.06 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 111.117 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.823 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.6 ptpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.766 0.317 . . . . 64.140000000000001 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -38.14 3.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.93 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.57 -9.19 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.19 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -33.29 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.33 -27.16 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 73.140000000000001 111.146 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.79 121.1 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 42.210000000000001 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.55 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.912 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 65.439999999999998 110.939 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.67 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.010000000000005 110.891 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -53.38 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 62.310000000000002 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 72.25 111.132 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 -17.78 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.420000000000002 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.71 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 71.120000000000005 111.166 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.836 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 74.430000000000007 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -86.65 11.37 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.98 71.76 32.38 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 73.329999999999998 110.944 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 156.14 64.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 71.349999999999994 112.334 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.54 34.46 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.409999999999997 110.916 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.91 -38.13 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.439999999999998 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -122.96 -8.03 8.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 63.229999999999997 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -34.47 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.896 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -71.62 -27.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 111.14 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 p -84.63 120.6 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 74.299999999999997 111.121 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.98 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.439999999999998 110.886 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 71.109999999999999 110.892 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -50.99 -28.8 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.129999999999995 110.879 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.27 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 74.109999999999999 110.871 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 0.0 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 111.148 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -17.78 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.54 -39.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 111.106 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.88 0.372 . . . . 75.230000000000004 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -51.91 144.94 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 75.230000000000004 110.893 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.68 66.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 73.420000000000002 110.894 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.23 8.32 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.75 2.3 . . . . 40.329999999999998 112.321 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 ptpt -118.6 36.15 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 55.030000000000001 110.908 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -38.44 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 61.43 110.91 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.009999999999998 110.879 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.03 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.200000000000003 111.118 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -33.25 17.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.040000000000006 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.143 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.81 121.13 27.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.439999999999998 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.54 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 61.219999999999999 110.867 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 110.915 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.62 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 53.240000000000002 110.916 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -53.44 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.845 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.03 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 111.124 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.450000000000003 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.48 -39.74 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.171 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.898 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 70.120000000000005 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 180.0 139.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.917 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.04 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.597 0.713 . . . . 71.409999999999997 110.936 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 163.26 38.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 72.129999999999995 112.335 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 ptpt -118.36 39.5 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.099999999999994 110.862 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.26 -40.11 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 65.239999999999995 110.865 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.22 -9.98 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.861 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -70.34 -28.22 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.075 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -88.65 -39.01 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 70.200000000000003 110.932 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.2 pp -66.72 -27.33 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.149 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.68 121.11 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.93 16.63 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.938 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.932 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -61.6 -18.68 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -53.4 58.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.200000000000003 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 55.219999999999999 111.098 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.61 -17.71 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.55 -39.69 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 111.102 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.842 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.81 0.338 . . . . 62.210000000000001 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 153.05 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 70.209999999999994 110.863 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.03 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 62.450000000000003 110.926 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.676 ' HB2' HD23 ' A' ' 6' ' ' LEU . 53.8 Cg_endo -69.8 156.95 61.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 43.219999999999999 112.317 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.58 36.44 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.200000000000003 110.897 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD23 ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -43.87 -38.2 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.349999999999994 110.919 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.51 -9.22 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 61.310000000000002 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.12 -28.2 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 111.107 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -33.27 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.91 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.07 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.349999999999994 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.87 121.08 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.128 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 16.57 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.923 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -70.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.873 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.1 m-20 -61.87 -18.72 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -53.34 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.876 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -0.07 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 74.049999999999997 111.103 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.72 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.874 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 111.129 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.852 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.879 0.371 . . . . 74.430000000000007 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 50.84 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.239999999999995 110.859 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.24 160.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 53.439999999999998 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 177.64 5.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 63.130000000000003 112.303 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 3.4 ptpt -118.59 35.97 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.120000000000005 110.944 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -43.58 -38.15 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.409999999999997 110.965 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.39 -9.34 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.140000000000001 110.901 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.24 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 13.24 111.103 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.14 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 53.32 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.6 -27.01 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 111.13 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 p -84.82 120.49 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.145 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 17.76 11.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.929 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.51 -77.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.902 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -51.12 -28.75 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.430000000000007 110.897 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.37 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.896 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.121 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 -17.69 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.897 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.78 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 111.101 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.887 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -50.22 150.03 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.97 160.71 79.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 71.099999999999994 110.919 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 64.25 112.351 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -118.63 36.09 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -38.21 2.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 63.140000000000001 110.927 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.42 -9.25 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -28.28 63.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.069 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -33.11 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.62 -27.05 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 111.149 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -84.73 120.58 26.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 18.43 11.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 110.887 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.61 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 55.200000000000003 110.928 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.28 -28.58 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 71.549999999999997 110.917 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -53.33 59.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 61.240000000000002 110.897 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.02 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 -17.78 14.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.49 -39.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.140000000000001 111.139 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.875 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 74.400000000000006 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 50.76 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 110.881 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mp -81.89 160.65 63.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.721 . . . . 63.200000000000003 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.67 10.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.631 2.221 . . . . 62.240000000000002 112.382 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.54 36.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.926 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.51 -38.39 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 63.039999999999999 110.89 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.8 t80 -122.47 -9.16 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.239999999999995 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.11 -28.11 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 53.439999999999998 111.08 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -33.27 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.917 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.41 -27.17 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 111.112 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 p -84.82 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.177 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 15.63 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.907 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -70.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 70.140000000000001 110.93 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.1 -18.7 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 70.120000000000005 110.882 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -53.34 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.120000000000005 110.857 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.02 19.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.019999999999996 111.117 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -17.71 14.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 62.340000000000003 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.52 -39.73 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.530000000000001 111.126 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.845 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 53.100000000000001 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -51.87 111.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 54.219999999999999 110.893 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.75 72.45 11.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 61.310000000000002 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.31 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 75.030000000000001 112.291 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.69 40.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 71.140000000000001 110.948 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -44.37 -37.44 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.04 -9.29 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.838 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.15 -29.53 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 111.123 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -33.14 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -26.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.131 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -84.94 120.5 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 43.100000000000001 111.156 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 18.27 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.899 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 -77.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 70.040000000000006 110.884 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -51.27 -28.55 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.866 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -53.34 58.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 64.450000000000003 110.839 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.340000000000003 111.06 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -17.68 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.239999999999995 110.865 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.57 -39.69 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.132 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.914 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 61.219999999999999 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 178.77 172.46 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 60.210000000000001 110.888 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tp 62.04 71.07 0.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.129999999999995 110.904 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 175.79 7.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 43.020000000000003 112.352 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.56 36.08 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.129999999999995 110.901 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.14 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.897 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.21 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.24 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 55.100000000000001 111.118 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.79 -33.15 17.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 61.420000000000002 110.904 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.61 -27.0 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 64.299999999999997 111.116 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.82 120.48 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 111.178 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.59 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.911 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.06 -28.82 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 110.849 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.29 59.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.04 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 45.409999999999997 111.101 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.73 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.894 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.5 -39.73 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 111.146 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.854 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.856 0.36 . . . . 71.319999999999993 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -51.86 140.41 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.855 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.1 mt 54.38 70.55 1.64 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 75.310000000000002 110.863 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.82 37.87 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.722 2.281 . . . . 71.510000000000005 112.384 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.673 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.61 40.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.901 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.24 -37.61 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.239999999999995 110.906 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.1 t80 -123.0 -9.27 8.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.409999999999997 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.25 -29.19 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 43.340000000000003 111.062 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 -33.18 18.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.040000000000006 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -27.01 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 111.157 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -85.02 121.05 27.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 111.156 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 16.67 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 71.049999999999997 110.877 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.430000000000007 110.922 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.03 -18.68 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 110.889 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -53.37 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.349999999999994 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.07 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 111.094 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -17.81 14.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 110.859 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.77 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.030000000000001 111.121 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 70.439999999999998 110.846 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 74.430000000000007 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 66.55 174.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 43.100000000000001 110.867 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.79 69.43 71.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.632 0.73 . . . . 75.310000000000002 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -173.25 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 72.209999999999994 112.377 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 ptpt -118.51 36.07 4.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 71.430000000000007 110.94 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.49 -38.41 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 110.919 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.49 -9.08 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.239999999999995 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.23 -28.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.349999999999994 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -33.19 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.45 -27.08 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 45.030000000000001 111.137 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -84.84 121.12 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 111.108 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 16.71 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.905 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -70.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -61.7 -18.66 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.439999999999998 110.887 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -53.4 58.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 0.01 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -17.81 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.843 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.46 -39.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.181 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 74.450000000000003 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.811 0.339 . . . . 74.519999999999996 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 66.15 152.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.12 160.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 73.129999999999995 110.937 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 173.32 11.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 53.0 112.332 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.54 34.71 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.946 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.46 -35.35 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.93 -10.67 8.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.53 -28.97 64.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 72.219999999999999 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -32.83 18.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 61.530000000000001 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.523 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -74.0 -26.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 111.166 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.67 120.42 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 62.299999999999997 111.174 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 18.4 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.030000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.74 -77.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.882 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -51.37 -28.47 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 61.530000000000001 110.872 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -53.35 58.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.01 18.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 111.155 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.838 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.51 -39.72 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 55.219999999999999 111.13 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.430000000000007 110.866 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 71.219999999999999 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 66.62 161.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 54.210000000000001 110.874 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.5 mt 55.5 71.73 1.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 72.209999999999994 110.904 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 175.57 7.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 51.210000000000001 112.353 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.59 34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 62.43 110.92 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.47 -35.39 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.5 t80 -122.96 -10.56 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -71.63 -28.9 64.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 111.064 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -87.85 -32.85 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.109999999999999 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.162 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -84.66 120.54 26.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.77 19.96 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 60.130000000000003 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.319999999999993 110.901 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.78 -27.95 13.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.409999999999997 110.843 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -53.24 60.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 -0.0 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 54.210000000000001 111.084 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -17.78 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 110.868 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.821 0.343 . . . . 51.399999999999999 110.913 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 179.94 139.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.099999999999994 110.89 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.9 mt 58.53 69.65 1.39 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.594 0.711 . . . . 71.209999999999994 110.906 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 65.099999999999994 112.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.581 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -119.86 29.37 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 74.340000000000003 110.886 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -41.78 -35.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 53.530000000000001 110.93 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.7 t80 -122.99 -9.39 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.861 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.98 -27.94 62.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 111.137 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -88.98 -32.36 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.120000000000005 110.897 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.75 -27.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 63.520000000000003 111.091 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 p -85.35 120.38 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.131 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 17.55 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.040000000000006 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -77.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.873 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -51.12 -28.88 11.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.902 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -53.37 58.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.911 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.02 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.400000000000006 111.088 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.4 -17.8 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 111.143 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.904 0.383 . . . . 74.450000000000003 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -50.28 156.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.03 159.66 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 65.310000000000002 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 163.5 38.02 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 74.219999999999999 112.35 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.53 40.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 64.239999999999995 110.855 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.15 -37.7 3.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.0 -9.29 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -29.19 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 111.14 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -87.93 -33.2 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.27 -26.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 71.430000000000007 111.092 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 p -85.09 121.0 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 111.12 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 15.77 12.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.310000000000002 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.540000000000006 110.936 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -62.85 -18.69 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.150000000000006 110.838 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -53.38 59.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.891 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.74 0.04 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 52.43 111.107 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.45 -39.73 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 63.439999999999998 111.177 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 72.349999999999994 110.876 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.372 . . . . 73.530000000000001 110.847 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.4 p90 179.95 157.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 70.25 110.91 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mt 54.68 71.69 1.26 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 55.039999999999999 110.932 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.97 6.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 72.209999999999994 112.325 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.672 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -108.67 40.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.869 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -44.53 -37.3 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 60.439999999999998 110.968 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 2.2 t80 -123.11 -9.23 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.894 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -29.55 64.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 111.095 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 -33.14 19.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.340000000000003 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.38 -26.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.43 111.133 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.1 p -84.77 120.73 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 45.229999999999997 111.136 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 16.91 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.919 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 -72.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 70.299999999999997 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 18' ' ' ILE . 2.3 m-80 -54.74 -24.67 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 62.450000000000003 110.881 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.31 59.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.010000000000005 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.67 -0.09 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 61.399999999999999 111.141 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 64.540000000000006 110.858 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 45.109999999999999 111.116 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 65.25 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.58 20.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.84 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.24 73.23 27.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.719 . . . . 54.509999999999998 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.6 18.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 72.040000000000006 112.348 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -118.59 36.06 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.857 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.68 -38.17 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 63.310000000000002 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.43 -9.2 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.9 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.2 -28.19 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.400000000000006 111.05 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.13 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.129999999999995 110.874 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.67 -26.91 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 111.137 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.77 120.52 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 18.28 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.57 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 64.340000000000003 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.22 -28.66 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.838 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -53.31 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.935 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.65 -0.0 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 33.32 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.46 -17.79 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.855 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.44 -39.74 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 62.439999999999998 111.186 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.150000000000006 110.838 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 65.430000000000007 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 66.23 164.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 110.903 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.06 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 75.109999999999999 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.78 59.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 54.509999999999998 112.321 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.3 35.7 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 73.450000000000003 110.874 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.66 -38.1 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.209999999999994 110.909 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.48 -9.18 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 62.119999999999997 110.862 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.18 -28.35 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 111.069 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.72 -33.16 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 72.340000000000003 110.915 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.55 -27.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 111.102 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 p -84.81 121.09 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 54.140000000000001 111.17 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.7 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.879 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -63.18 -18.68 63.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.886 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.29 59.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 75.129999999999995 110.901 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 0.05 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 52.219999999999999 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -17.8 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.510000000000005 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.76 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.159 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.835 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.897 0.379 . . . . 51.539999999999999 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 50.84 -169.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.881 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.48 71.19 82.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 55.420000000000002 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 87.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 62.310000000000002 112.329 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -118.37 36.12 4.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.866 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.94 -38.05 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.928 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.54 -9.09 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.573 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.22 -28.45 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 64.310000000000002 111.1 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -88.71 -33.26 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 110.848 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.36 -27.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.210000000000001 111.179 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.4 p -84.73 120.85 26.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 111.11 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.28 16.14 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.916 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 -78.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 110.914 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -19.26 58.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 75.209999999999994 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -99.3 -54.64 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 61.32 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.24 -24.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 74.109999999999999 111.135 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -19.48 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 70.129999999999995 110.839 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 15' ' ' MET . 6.0 pt -68.95 -40.06 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 111.117 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.823 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 64.409999999999997 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -86.68 11.38 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.530000000000001 110.912 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.92 160.69 76.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 62.439999999999998 110.927 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 107.48 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 70.099999999999994 112.375 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 1.6 ptpt -118.55 36.45 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.874 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -38.14 3.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.93 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 1.9 t80 -122.57 -9.19 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . . . -72.16 -28.19 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -33.29 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 1.1 pp -73.33 -27.16 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 73.140000000000001 111.146 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -84.79 121.1 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 42.210000000000001 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 17.55 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.912 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -70.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 65.439999999999998 110.939 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.35 -18.67 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.010000000000005 110.891 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -53.38 58.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 62.310000000000002 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 72.25 111.132 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 -17.78 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.420000000000002 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' ASN . 3.1 pt -52.47 -39.71 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 71.120000000000005 111.166 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.836 179.965 . . . . . . . . 0 0 . 1 stop_ save_