data_5zyx_residue ############################ # Computer software used # ############################ 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 5zyx _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.786 0.327 . . . . 74.51 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -62.46 -18.96 63.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.897 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.77 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 65.03 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -78.83 -29.68 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.38 -17.77 35.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.846 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -102.1 -36.63 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.077 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.98 -39.55 55.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.851 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.88 -32.17 40.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.86 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -76.09 -60.12 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -50.39 -23.53 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -34.37 19.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -98.27 -72.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -120.55 83.51 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.904 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -75.78 57.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.899 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -87.56 -5.41 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.849 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.32 -31.93 64.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 72.4 110.916 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -33.75 38.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.866 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -46.56 53.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.909 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.125 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 75.2 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -76.86 -25.81 53.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.91 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.06 -36.09 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.921 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -27.02 55.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.842 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.87 -17.91 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 tp -104.44 -32.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.15 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 t -51.44 -43.68 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 65.04 110.827 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.66 -34.36 40.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.44 -58.0 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.901 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -52.68 -26.2 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -62.9 -57.05 12.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.56 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.4 60.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.882 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -75.68 -57.43 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.839 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.16 -15.32 41.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.15 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -51.26 -44.84 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.952 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -67.13 -42.68 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.84 -57.62 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.892 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.092 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -76.47 -18.38 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 64.43 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -60.83 -36.32 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 74.02 110.913 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -76.59 -28.12 56.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 70.24 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -86.22 -20.41 28.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.49 -36.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.163 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.28 -41.2 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 63.35 110.848 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.42 -31.02 37.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -75.25 -59.53 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.13 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.19 -20.61 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -41.13 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.868 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -94.2 -67.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 84.32 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.871 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -75.84 59.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -85.1 -21.77 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.894 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -23.04 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 61.3 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.41 -31.57 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.916 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -37.25 42.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.22 -55.56 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.3 111.057 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 73.13 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -81.23 -18.4 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -36.91 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.889 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -76.28 -27.84 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.822 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.4 -20.71 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 73.34 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.28 -36.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.161 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.58 -41.26 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.834 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.51 -33.14 36.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 65.34 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.07 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.69 -19.45 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -41.4 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -94.63 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.856 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 84.29 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.883 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -76.02 59.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.848 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -21.24 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.865 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.99 -22.16 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.51 -29.31 58.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.94 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.77 -32.88 60.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -75.71 -53.64 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.072 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -74.53 -18.52 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.931 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.25 -36.63 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.85 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -27.9 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.86 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -21.04 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.87 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.04 -35.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -51.36 -43.0 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 63.21 110.843 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -33.95 39.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.891 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.893 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.41 -20.97 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -53.81 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 70.33 110.862 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -82.46 -44.37 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.24 83.42 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.842 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.77 59.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.855 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -95.81 -36.32 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.859 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -30.56 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.911 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -82.22 -44.14 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.885 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 62.12 111.129 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.782 0.325 . . . . 65.03 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.17 -18.37 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.933 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -36.17 77.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.904 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.89 -28.3 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -86.27 -19.68 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.18 -36.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.164 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -51.2 -41.33 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.51 -30.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.26 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.876 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.56 -20.38 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -79.02 -40.84 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -66.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.05 110.849 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -121.4 84.34 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.856 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.04 59.65 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 54.54 110.872 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -76.52 -26.45 55.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.897 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -79.73 -22.12 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.873 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.38 -32.27 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.889 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -84.15 -24.77 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -79.89 -56.26 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.939 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 71.5 111.138 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 74.14 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -72.57 -26.09 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -60.74 -36.15 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 73.22 110.866 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.91 -26.98 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.52 -17.8 33.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.893 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 tp -105.03 -33.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -48.95 -45.27 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.0 -29.97 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -72.14 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -50.73 -29.07 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.2 -57.8 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -78.01 -45.7 23.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.67 83.86 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.814 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -75.24 60.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.65 -59.24 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.89 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -15.23 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -36.14 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -82.48 -32.89 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.856 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.52 -49.69 68.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.124 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -83.71 -18.6 37.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -36.37 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.32 110.941 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -76.75 -27.95 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -19.41 30.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.905 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.32 -35.66 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.44 111.141 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.32 -42.71 53.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 53.12 110.862 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.25 -28.28 38.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.07 -60.12 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.8 -23.1 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -74.34 -46.88 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -113.19 -70.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.83 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 66.24 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.833 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -75.48 59.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 ttm-85 -67.52 -39.26 85.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.858 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.7 -55.71 17.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 62.24 110.942 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.94 -29.44 28.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -81.76 -32.71 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.872 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -78.43 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.051 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 74.24 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -79.27 -18.35 52.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.33 -36.21 79.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.14 110.889 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -76.37 -28.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.34 -21.77 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.85 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -97.69 -36.41 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.145 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.57 -42.84 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.822 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 -29.58 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.931 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.85 -59.81 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 70.53 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.21 -18.15 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.895 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.6 -46.24 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.874 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -114.05 -70.12 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 64.26 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.871 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.14 59.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 64.11 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.48 -8.21 39.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.912 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -75.88 -27.43 57.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -40.85 60.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 70.23 110.918 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -23.61 30.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -65.89 -35.96 82.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.918 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.129 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 73.23 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -75.12 -18.28 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.24 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 2.5 ptmm? -61.45 -36.22 79.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -76.3 -28.04 56.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.898 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -86.32 -22.09 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.816 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -97.43 -36.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.127 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 t -51.56 -42.89 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 55.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.27 -29.71 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -74.74 -59.87 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 64.12 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -18.08 24.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -45.63 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -114.24 -69.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.854 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 64.49 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.852 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -75.16 59.68 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -95.22 -9.96 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.868 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.83 -32.01 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.965 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -51.9 -34.22 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -85.46 -26.02 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.46 -56.49 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 55.02 111.153 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.75 0.31 . . . . 73.24 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -71.25 -18.88 62.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.908 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.39 -32.05 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 74.14 110.923 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -79.24 -30.05 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.843 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -85.79 -18.3 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.427 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -100.98 -36.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.1 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 t -51.46 -41.97 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.832 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.49 -32.59 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 74.24 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -73.25 -58.86 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -57.32 -18.91 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.959 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -79.72 -41.13 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -95.28 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.13 84.11 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.33 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.11 59.61 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.34 -20.73 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.38 -21.45 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.917 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -32.64 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.861 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -82.41 -29.24 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.892 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -62.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 64.13 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.061 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 74.5 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.417 ' NE1' ' HB ' ' A' ' 6' ' ' ILE . 45.1 t-105 -64.81 -18.73 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -62.7 -36.68 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -75.66 -27.12 58.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -23.46 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -96.28 -36.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.144 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -52.02 -42.55 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.814 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.79 -28.59 36.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.868 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -59.7 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.42 -20.72 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.942 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.4 -45.96 24.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -66.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.58 82.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.03 110.925 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -75.68 57.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -83.05 -28.15 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 mt -51.87 -55.7 18.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -29.45 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -82.5 -30.7 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.67 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.916 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.114 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.797 0.332 . . . . 74.15 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -83.57 -18.27 38.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -36.45 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -76.79 -28.47 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 71.43 110.863 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -86.21 -18.71 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.827 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -35.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.42 111.119 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -50.2 -45.72 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.76 -30.29 40.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.918 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.2 -60.46 2.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.938 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.9 -24.17 5.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.925 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -56.53 13.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.858 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -83.15 -45.84 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 83.58 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.834 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.89 -15.99 15.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 52.32 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -42.63 -38.73 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.15 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.93 -53.34 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.874 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.0 -36.1 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -85.79 -24.19 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.886 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.26 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.928 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.45 111.134 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 72.53 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.43 -18.05 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.876 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -58.51 -36.82 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 75.2 110.873 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -77.04 -29.34 55.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.11 110.884 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -17.59 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -103.66 -34.36 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -48.74 -45.36 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.5 110.867 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.21 -32.59 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.895 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.935 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.51 -25.21 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.924 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -63.78 -56.34 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.54 110.863 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -81.04 -47.04 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.96 82.87 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.868 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.34 -7.86 34.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -51.92 -32.04 31.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -24.47 47.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.945 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.83 -33.1 47.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.932 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -80.19 -40.42 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -65.35 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.12 111.103 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 73.45 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.947 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -60.67 -36.52 78.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.86 -26.7 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.829 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -86.63 -17.72 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 63.35 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 tp -104.64 -34.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.161 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -50.8 -40.09 54.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 70.35 110.861 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.18 -34.06 37.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 71.54 110.892 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -58.52 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.35 -23.25 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -38.92 36.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.854 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -96.22 -67.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 82.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -74.34 61.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.859 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -81.96 -13.74 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.841 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -20.2 60.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.923 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.99 -31.44 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 70.22 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -82.71 -34.87 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 75.05 110.867 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.88 -45.53 89.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.24 111.075 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.806 0.336 . . . . 74.45 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -70.44 -18.41 63.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 72.05 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 8.7 ptmt -60.74 -36.1 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.932 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -28.29 55.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -86.36 -20.33 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.852 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -99.3 -36.42 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.068 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.34 -42.71 61.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.862 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.79 -32.44 40.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -60.28 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.917 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.21 -21.1 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.959 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -36.61 48.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.866 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -75.2 -102.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.879 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 -22.41 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.97 59.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 58.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.914 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -50.58 -32.67 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.897 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -53.4 -40.94 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 75.43 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.25 -26.34 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -85.54 -63.86 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 63.44 111.103 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 74.14 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -69.62 -18.4 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.935 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 3.2 pttp -60.77 -36.83 79.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.904 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -27.95 56.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.98 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -98.84 -36.19 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.16 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -42.66 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.77 -32.44 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 75.05 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -60.27 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.933 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.15 -21.21 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.88 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -77.75 -36.89 50.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -74.92 -102.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.68 -22.38 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -76.95 59.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 71.02 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 58.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.85 -31.05 16.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.916 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.83 -27.88 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.851 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -85.55 -61.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.918 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.11 111.09 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.772 0.32 . . . . 75.43 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.82 -18.39 64.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 71.5 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 1.5 pttt -60.79 -36.52 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 75.42 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -76.47 -28.07 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -86.48 -20.57 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.863 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -99.15 -36.12 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.125 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -43.03 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 54.32 110.866 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.78 -33.92 40.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 55.32 110.923 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -59.7 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.928 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.46 -19.98 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.916 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -79.09 -36.33 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.42 110.878 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -75.24 -102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -122.74 -22.77 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.842 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 59.65 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -76.16 59.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.874 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.38 -29.37 15.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.967 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.06 -31.87 20.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.948 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -31.13 22.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.864 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.43 -30.52 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.113 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 73.31 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -64.61 -24.81 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -60.82 -36.53 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.899 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -76.56 -27.27 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 73.4 110.937 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -17.5 33.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.861 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 tp -105.07 -32.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.15 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -50.36 -44.67 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.822 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.7 -35.49 44.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.853 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -59.34 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.95 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -51.32 -27.02 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -69.5 -41.82 75.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -71.15 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -123.64 -19.69 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.34 57.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.861 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 58.72 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.893 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -29.24 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.1 110.914 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.54 -52.27 48.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.939 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -76.5 -25.78 54.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.823 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.56 11.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.106 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.755 0.312 . . . . 74.44 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -83.73 -18.49 37.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.911 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 16.0 ptmt -61.08 -36.31 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -76.5 -27.98 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 75.24 110.89 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -21.03 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.834 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -98.39 -36.83 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.131 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -52.06 -40.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 62.01 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.39 -34.7 36.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.887 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -57.55 -20.25 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -34.9 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.891 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -51.34 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -122.82 -117.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.19 76.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -85.39 -82.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.31 110.87 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -88.15 -35.91 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -33.86 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -40.48 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.833 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.69 -60.98 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.095 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.786 0.327 . . . . 74.51 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -62.46 -18.96 63.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.897 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.77 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 65.03 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -78.83 -29.68 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.38 -17.77 35.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.846 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -102.1 -36.63 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.077 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.98 -39.55 55.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.851 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.88 -32.17 40.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.86 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -76.09 -60.12 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -50.39 -23.53 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -34.37 19.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -98.27 -72.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -120.55 83.51 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.904 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -75.78 57.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.899 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -87.56 -5.41 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.849 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.32 -31.93 64.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 72.4 110.916 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -33.75 38.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.866 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -46.56 53.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.909 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.125 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 75.2 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -76.86 -25.81 53.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.91 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.06 -36.09 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.921 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -27.02 55.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.842 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.87 -17.91 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 tp -104.44 -32.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.15 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 t -51.44 -43.68 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 65.04 110.827 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.66 -34.36 40.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.44 -58.0 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.901 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -52.68 -26.2 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -62.9 -57.05 12.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.56 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.4 60.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.882 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -75.68 -57.43 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.839 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.16 -15.32 41.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.15 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -51.26 -44.84 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.952 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -67.13 -42.68 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.84 -57.62 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.892 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.092 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -76.47 -18.38 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 64.43 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -60.83 -36.32 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 74.02 110.913 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -76.59 -28.12 56.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 70.24 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -86.22 -20.41 28.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.49 -36.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.163 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.28 -41.2 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 63.35 110.848 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.42 -31.02 37.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -75.25 -59.53 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.13 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.19 -20.61 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -41.13 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.868 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -94.2 -67.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 84.32 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.871 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -75.84 59.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -85.1 -21.77 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.894 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -23.04 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 61.3 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.41 -31.57 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.916 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -37.25 42.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.22 -55.56 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.3 111.057 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 73.13 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -81.23 -18.4 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -36.91 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.889 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -76.28 -27.84 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.822 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.4 -20.71 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 73.34 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.28 -36.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.161 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.58 -41.26 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.834 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.51 -33.14 36.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 65.34 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.07 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.69 -19.45 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.885 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -41.4 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -94.63 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.856 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 84.29 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.883 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -76.02 59.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.848 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -21.24 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.865 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.99 -22.16 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.51 -29.31 58.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.94 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.77 -32.88 60.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -75.71 -53.64 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.072 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -74.53 -18.52 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.931 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.25 -36.63 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.85 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -27.9 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.86 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -21.04 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.87 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.04 -35.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -51.36 -43.0 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 63.21 110.843 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -33.95 39.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.891 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.893 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.41 -20.97 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -53.81 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 70.33 110.862 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -82.46 -44.37 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.24 83.42 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.842 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.77 59.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.855 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -95.81 -36.32 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.859 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -30.56 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.911 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -82.22 -44.14 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.885 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 62.12 111.129 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.782 0.325 . . . . 65.03 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.17 -18.37 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.933 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -36.17 77.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.904 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.89 -28.3 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -86.27 -19.68 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.18 -36.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.164 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -51.2 -41.33 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.51 -30.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.26 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.876 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.56 -20.38 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -79.02 -40.84 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -66.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.05 110.849 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -121.4 84.34 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.856 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.04 59.65 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 54.54 110.872 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -76.52 -26.45 55.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.897 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -79.73 -22.12 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.873 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.38 -32.27 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.889 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -84.15 -24.77 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -79.89 -56.26 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.939 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 71.5 111.138 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 74.14 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -72.57 -26.09 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -60.74 -36.15 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 73.22 110.866 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.91 -26.98 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.52 -17.8 33.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.893 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 tp -105.03 -33.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -48.95 -45.27 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.0 -29.97 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -72.14 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -50.73 -29.07 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.2 -57.8 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -78.01 -45.7 23.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.67 83.86 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.814 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -75.24 60.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.65 -59.24 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.89 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -15.23 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -36.14 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -82.48 -32.89 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.856 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.52 -49.69 68.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.124 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -83.71 -18.6 37.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -36.37 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.32 110.941 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -76.75 -27.95 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -19.41 30.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.905 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.32 -35.66 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.44 111.141 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.32 -42.71 53.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 53.12 110.862 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.25 -28.28 38.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.07 -60.12 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.8 -23.1 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -74.34 -46.88 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -113.19 -70.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.83 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 66.24 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.833 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -75.48 59.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 ttm-85 -67.52 -39.26 85.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.858 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.7 -55.71 17.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 62.24 110.942 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.94 -29.44 28.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -81.76 -32.71 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.872 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -78.43 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.051 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 74.24 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -79.27 -18.35 52.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.33 -36.21 79.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.14 110.889 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -76.37 -28.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.34 -21.77 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.85 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -97.69 -36.41 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.145 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.57 -42.84 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.822 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 -29.58 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.931 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.85 -59.81 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 70.53 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.21 -18.15 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.895 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.6 -46.24 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.874 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -114.05 -70.12 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 64.26 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.871 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.14 59.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 64.11 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.48 -8.21 39.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.912 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -75.88 -27.43 57.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -40.85 60.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 70.23 110.918 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -23.61 30.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -65.89 -35.96 82.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.918 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.129 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 73.23 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -75.12 -18.28 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.24 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 2.5 ptmm? -61.45 -36.22 79.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -76.3 -28.04 56.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.898 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -86.32 -22.09 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.816 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -97.43 -36.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.127 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 t -51.56 -42.89 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 55.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.27 -29.71 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -74.74 -59.87 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 64.12 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -18.08 24.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -45.63 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -114.24 -69.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.854 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 64.49 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.852 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -75.16 59.68 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -95.22 -9.96 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.868 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.83 -32.01 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.965 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -51.9 -34.22 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -85.46 -26.02 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.46 -56.49 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 55.02 111.153 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.75 0.31 . . . . 73.24 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -71.25 -18.88 62.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.908 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.39 -32.05 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 74.14 110.923 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -79.24 -30.05 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.843 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -85.79 -18.3 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -100.98 -36.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.1 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 t -51.46 -41.97 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.832 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.49 -32.59 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 74.24 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -73.25 -58.86 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -57.32 -18.91 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.959 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -79.72 -41.13 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -95.28 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.13 84.11 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.33 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.11 59.61 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.34 -20.73 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.38 -21.45 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.917 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -32.64 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.861 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -82.41 -29.24 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.892 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -62.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 64.13 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.061 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 74.5 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' NE1' ' HB ' ' A' ' 6' ' ' ILE . 45.1 t-105 -64.81 -18.73 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -62.7 -36.68 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -75.66 -27.12 58.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -23.46 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -96.28 -36.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.144 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -52.02 -42.55 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.814 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.79 -28.59 36.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.868 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -59.7 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.42 -20.72 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.942 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.4 -45.96 24.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -66.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.58 82.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.03 110.925 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -75.68 57.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -83.05 -28.15 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 mt -51.87 -55.7 18.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -29.45 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -82.5 -30.7 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.67 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.916 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.114 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.797 0.332 . . . . 74.15 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -83.57 -18.27 38.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -36.45 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -76.79 -28.47 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 71.43 110.863 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -86.21 -18.71 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.827 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -35.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.42 111.119 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -50.2 -45.72 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.76 -30.29 40.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.918 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.2 -60.46 2.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.938 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.9 -24.17 5.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.925 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -56.53 13.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.858 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -83.15 -45.84 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 83.58 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.834 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.89 -15.99 15.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 52.32 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -42.63 -38.73 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.15 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.93 -53.34 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.874 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.0 -36.1 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -85.79 -24.19 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.886 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.26 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.928 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.45 111.134 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 72.53 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.43 -18.05 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.876 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -58.51 -36.82 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 75.2 110.873 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -77.04 -29.34 55.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.11 110.884 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -17.59 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -103.66 -34.36 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -48.74 -45.36 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.5 110.867 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.21 -32.59 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.895 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.935 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.51 -25.21 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.924 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -63.78 -56.34 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.54 110.863 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -81.04 -47.04 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.96 82.87 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.868 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.34 -7.86 34.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -51.92 -32.04 31.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -24.47 47.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.945 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.83 -33.1 47.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.932 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -80.19 -40.42 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -65.35 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.12 111.103 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 73.45 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.947 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -60.67 -36.52 78.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.86 -26.7 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.829 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -86.63 -17.72 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 63.35 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 tp -104.64 -34.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.161 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -50.8 -40.09 54.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 70.35 110.861 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.18 -34.06 37.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 71.54 110.892 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -58.52 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.35 -23.25 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -38.92 36.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.854 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -96.22 -67.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 82.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -74.34 61.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.859 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -81.96 -13.74 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.841 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -20.2 60.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.923 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.99 -31.44 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 70.22 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -82.71 -34.87 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 75.05 110.867 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.88 -45.53 89.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 74.24 111.075 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.806 0.336 . . . . 74.45 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -70.44 -18.41 63.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 72.05 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 8.7 ptmt -60.74 -36.1 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.932 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -28.29 55.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -86.36 -20.33 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.852 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -99.3 -36.42 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.068 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.34 -42.71 61.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.862 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.79 -32.44 40.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -60.28 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.917 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.21 -21.1 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.959 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -36.61 48.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.866 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -75.2 -102.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.879 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 -22.41 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.97 59.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 58.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.914 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -50.58 -32.67 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.897 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -53.4 -40.94 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 75.43 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.25 -26.34 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -85.54 -63.86 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 63.44 111.103 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 74.14 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -69.62 -18.4 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.935 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 3.2 pttp -60.77 -36.83 79.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.904 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -27.95 56.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.98 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -98.84 -36.19 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.16 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -42.66 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.77 -32.44 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 75.05 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -60.27 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.933 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.15 -21.21 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.88 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -77.75 -36.89 50.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -74.92 -102.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.68 -22.38 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -76.95 59.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 71.02 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 58.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.85 -31.05 16.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.916 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.83 -27.88 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.851 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -85.55 -61.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.918 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.11 111.09 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.772 0.32 . . . . 75.43 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.82 -18.39 64.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 71.5 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 1.5 pttt -60.79 -36.52 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 75.42 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -76.47 -28.07 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -86.48 -20.57 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.863 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -99.15 -36.12 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.125 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -43.03 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 54.32 110.866 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.78 -33.92 40.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 55.32 110.923 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -59.7 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.928 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.46 -19.98 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.916 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -79.09 -36.33 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.42 110.878 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -75.24 -102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -122.74 -22.77 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.842 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 59.65 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -76.16 59.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.874 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.38 -29.37 15.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.967 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.06 -31.87 20.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.948 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -31.13 22.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.864 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.43 -30.52 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.113 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 73.31 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -64.61 -24.81 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -60.82 -36.53 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.899 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -76.56 -27.27 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 73.4 110.937 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -17.5 33.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.861 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 tp -105.07 -32.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.15 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -50.36 -44.67 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.822 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.7 -35.49 44.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.853 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -59.34 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.95 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -51.32 -27.02 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -69.5 -41.82 75.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -71.15 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -123.64 -19.69 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.34 57.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.861 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 58.72 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.893 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -29.24 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.1 110.914 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.54 -52.27 48.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.939 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -76.5 -25.78 54.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.823 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.56 11.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.42 111.106 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.755 0.312 . . . . 74.44 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -83.73 -18.49 37.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.911 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HA ' ' CG2' ' A' ' 6' ' ' ILE . 16.0 ptmt -61.08 -36.31 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -76.5 -27.98 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 75.24 110.89 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -21.03 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.834 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' CG2' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -98.39 -36.83 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.131 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -52.06 -40.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 62.01 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.39 -34.7 36.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.887 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -57.55 -20.25 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -34.9 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.891 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -51.34 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -122.82 -117.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.19 76.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -85.39 -82.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.31 110.87 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -88.15 -35.91 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -33.86 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -40.48 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.833 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.69 -60.98 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.095 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.786 0.327 . . . . 74.25 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.528 ' HZ2' HD22 ' A' ' 16' ' ' LEU . 69.1 t-105 -62.46 -18.96 63.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -59.94 -32.77 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 61.14 110.88 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -78.83 -29.68 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.38 -17.77 35.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.846 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -102.1 -36.63 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.077 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 10' ' ' LEU . 3.3 m -50.98 -39.55 55.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.88 -32.17 40.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.86 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -76.09 -60.12 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 6' ' ' ILE . 4.0 pp -50.39 -23.53 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -34.37 19.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -98.27 -72.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.02 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -120.55 83.51 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.904 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -75.78 57.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.899 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -87.56 -5.41 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.849 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -73.32 -31.93 64.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 71.01 110.916 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -33.75 38.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.51 110.866 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -46.56 53.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 64.22 110.909 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.125 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 71.53 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.634 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.2 t-105 -76.86 -25.81 53.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.91 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 6' ' ' ILE . 9.5 ptmt -61.06 -36.09 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.921 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -27.02 55.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.842 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.87 -17.91 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.44 -32.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.12 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 t -51.44 -43.68 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 54.3 110.827 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.66 -34.36 40.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 6' ' ' ILE . 1.5 tt0 -70.44 -58.0 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -52.68 -26.2 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -62.9 -57.05 12.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 71.52 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.56 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.4 60.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.882 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -75.68 -57.43 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.839 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 6' ' ' ILE . 1.7 pp -86.16 -15.32 41.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 50.34 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -51.26 -44.84 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.952 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -67.13 -42.68 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.84 -57.62 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.892 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.092 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.9 t-105 -76.47 -18.38 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.22 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -60.83 -36.32 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.913 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -76.59 -28.12 56.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 64.21 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -86.22 -20.41 28.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.49 -36.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.163 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.28 -41.2 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 60.32 110.848 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.42 -31.02 37.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.0 tt0 -75.25 -59.53 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.13 110.88 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.19 -20.61 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -41.13 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.868 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -94.2 -67.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.25 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 84.32 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.871 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -75.84 59.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -85.1 -21.77 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.894 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.587 HD21 HG13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -82.96 -23.04 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 53.02 110.915 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.41 -31.57 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.916 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -37.25 42.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.22 -55.56 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 72.42 111.057 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 72.11 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.5 t-105 -81.23 -18.4 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -60.79 -36.91 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.889 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -76.28 -27.84 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.822 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.4 -20.71 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 73.34 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.28 -36.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.58 -41.26 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.834 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.51 -33.14 36.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 65.34 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HG2' HD23 ' A' ' 16' ' ' LEU . 1.9 tt0 -73.07 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.908 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 6' ' ' ILE . 3.6 pp -56.69 -19.45 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.885 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -41.4 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -94.63 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 84.29 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.883 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -76.02 59.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.848 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -21.24 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.865 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -83.99 -22.16 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.51 -29.31 58.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.94 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.77 -32.88 60.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -75.71 -53.64 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 62.45 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.072 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 67.1 t-105 -74.53 -18.52 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 54.32 110.931 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 6' ' ' ILE . 6.0 pttt -61.25 -36.63 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.85 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -27.9 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.86 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -21.04 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 50.04 110.87 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -99.04 -35.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 64.13 111.136 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -51.36 -43.0 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 50.34 110.843 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -33.95 39.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.891 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.893 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.41 -20.97 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.9 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -53.81 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.31 110.862 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -82.46 -44.37 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.24 83.42 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.842 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.77 59.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 65.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -95.81 -36.32 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.859 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 HG13 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.92 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -30.56 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.911 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -82.22 -44.14 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.885 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 40.31 111.129 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.782 0.325 . . . . 53.02 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.58 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.3 t-105 -62.17 -18.37 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.933 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.41 -36.17 77.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.904 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.89 -28.3 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -86.27 -19.68 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.717 HG13 HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -100.18 -36.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.44 111.164 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -51.2 -41.33 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.51 -30.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.26 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.876 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.642 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.56 -20.38 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.892 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -79.02 -40.84 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -66.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.849 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -121.4 84.34 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.856 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.04 59.65 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 51.13 110.872 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -76.52 -26.45 55.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.897 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.717 HD11 HG13 ' A' ' 6' ' ' ILE . 1.8 pt? -79.73 -22.12 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.38 -32.27 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 55.04 110.889 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -84.15 -24.77 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -79.89 -56.26 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.939 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 71.13 111.138 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 74.14 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.632 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.0 t-105 -72.57 -26.09 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.882 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 6' ' ' ILE . 20.3 ptmt -60.74 -36.15 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 73.22 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.91 -26.98 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.52 -17.8 33.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.893 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.784 HG13 HD23 ' A' ' 10' ' ' LEU . 3.4 tp -105.03 -33.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.5 m -48.95 -45.27 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.1 110.911 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.0 -29.97 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.725 ' HB3' HD12 ' A' ' 6' ' ' ILE . 2.9 tt0 -72.14 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 6' ' ' ILE . 3.9 pp -50.73 -29.07 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.92 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.2 -57.8 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.02 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -78.01 -45.7 23.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.67 83.86 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 73.1 110.814 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -75.24 60.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.65 -59.24 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.89 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.44 -15.23 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.936 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -57.04 -36.14 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.887 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -82.48 -32.89 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.856 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.52 -49.69 68.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 50.53 111.124 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 64.41 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 6' ' ' ILE . 66.7 t-105 -83.71 -18.6 37.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -60.67 -36.37 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.941 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -76.75 -27.95 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -19.41 30.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.905 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.628 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -101.32 -35.66 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.141 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.32 -42.71 53.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 44.03 110.862 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.25 -28.28 38.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.07 -60.12 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 6' ' ' ILE . 3.8 pp -51.8 -23.1 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 55.44 110.901 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -74.34 -46.88 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -113.19 -70.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.83 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 66.24 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.833 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -75.48 59.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 ttm-85 -67.52 -39.26 85.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.858 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD12 HG13 ' A' ' 6' ' ' ILE . 31.8 mt -51.7 -55.71 17.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 62.24 110.942 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.94 -29.44 28.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -81.76 -32.71 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.872 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -78.43 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.051 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 74.24 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.8 t-105 -79.27 -18.35 52.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.33 -36.21 79.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.14 110.889 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -76.37 -28.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.34 -21.77 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.85 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.69 -36.41 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.15 111.145 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.57 -42.84 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 44.14 110.822 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 -29.58 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.931 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.85 -59.81 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 54.41 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.21 -18.15 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.6 -46.24 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.874 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -114.05 -70.12 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 64.26 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.871 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.14 59.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 54.34 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.48 -8.21 39.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.912 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.56 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 7.4 tp -75.88 -27.43 57.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.922 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -40.85 60.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.918 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -23.61 30.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' HB2' HD12 ' A' ' 16' ' ' LEU . 9.0 mt-30 -65.89 -35.96 82.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 54.3 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.129 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 73.23 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.7 t-105 -75.12 -18.28 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.5 ptmm? -61.45 -36.22 79.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -76.3 -28.04 56.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 70.23 110.898 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -86.32 -22.09 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.816 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.718 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.43 -36.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 61.33 111.127 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 t -51.56 -42.89 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 53.33 110.884 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.27 -29.71 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -74.74 -59.87 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.42 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.27 -18.08 24.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -45.63 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -114.24 -69.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.854 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 64.49 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.852 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -75.16 59.68 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 70.52 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -95.22 -9.96 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.868 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -71.83 -32.01 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.965 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -51.9 -34.22 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -85.46 -26.02 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.46 -56.49 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.02 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.33 111.153 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.75 0.31 . . . . 73.02 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.5 t-105 -71.25 -18.88 62.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.908 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.39 -32.05 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 64.23 110.923 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -79.24 -30.05 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.843 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -85.79 -18.3 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -100.98 -36.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.1 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 t -51.46 -41.97 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.832 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.49 -32.59 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 74.24 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -73.25 -58.86 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -57.32 -18.91 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.959 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -79.72 -41.13 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -95.28 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.13 84.11 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.33 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.11 59.61 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.34 -20.73 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -84.38 -21.45 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.05 110.917 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -32.64 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.861 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -82.41 -29.24 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.54 110.892 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -62.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.061 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 64.33 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CZ2' HD13 ' A' ' 16' ' ' LEU . 45.1 t-105 -64.81 -18.73 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.535 ' HA ' HG22 ' A' ' 6' ' ' ILE . 11.7 ptmt -62.7 -36.68 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.894 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -75.66 -27.12 58.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -23.46 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -96.28 -36.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.144 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -52.02 -42.55 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.814 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.79 -28.59 36.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.868 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -59.7 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.557 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -53.42 -20.72 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.4 -45.96 24.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -66.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.58 82.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.925 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -75.68 57.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -83.05 -28.15 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 52.1 mt -51.87 -55.7 18.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 54.22 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -29.45 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -82.5 -30.7 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.67 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.05 110.916 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 60.25 111.114 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.797 0.332 . . . . 74.15 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.561 ' O ' HG22 ' A' ' 6' ' ' ILE . 73.5 t-105 -83.57 -18.27 38.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.917 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -59.69 -36.45 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.51 110.896 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -76.79 -28.47 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 65.23 110.863 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -86.21 -18.71 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.827 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -101.61 -35.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.4 111.119 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -50.2 -45.72 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.76 -30.29 40.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.918 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.3 tt0 -73.2 -60.46 2.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.938 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -51.9 -24.17 5.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.925 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -56.53 13.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.858 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -83.15 -45.84 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 83.58 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.89 -15.99 15.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 52.32 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -42.63 -38.73 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.15 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 9' ' ' GLN . 3.4 tp -67.93 -53.34 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 53.34 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.0 -36.1 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -85.79 -24.19 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.26 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.928 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.134 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 64.35 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 77.2 t-105 -70.43 -18.05 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.9 ptmt -58.51 -36.82 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 75.2 110.873 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -77.04 -29.34 55.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.884 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -17.59 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.14 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.611 ' CG1' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -103.66 -34.36 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.168 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.449 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.4 m -48.74 -45.36 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.867 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.21 -32.59 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.895 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -71.21 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.935 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.8 pp -51.51 -25.21 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.924 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -63.78 -56.34 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 52.42 110.863 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -81.04 -47.04 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.96 82.87 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.868 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.34 -7.86 34.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -51.92 -32.04 31.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD21 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -56.59 -24.47 47.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 62.5 110.945 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.83 -33.1 47.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.932 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -80.19 -40.42 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -65.35 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.12 111.103 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 63.24 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.652 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.8 t-105 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 71.53 110.947 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.6 ptmm? -60.67 -36.52 78.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.86 -26.7 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.829 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -86.63 -17.72 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 61.25 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.778 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.64 -34.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.161 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.8 t -50.8 -40.09 54.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.861 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.18 -34.06 37.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 55.14 110.892 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -73.14 -58.52 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.903 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 6' ' ' ILE . 4.1 pp -51.35 -23.25 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -38.92 36.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.854 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -96.22 -67.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 82.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.6 p30 -74.34 61.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.859 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -81.96 -13.74 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.841 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -74.56 -20.2 60.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.923 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 6.5 tt0 -52.99 -31.44 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.926 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -82.71 -34.87 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.867 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.88 -45.53 89.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 54.03 111.075 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.806 0.336 . . . . 73.22 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.1 t-105 -70.44 -18.41 63.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 72.05 110.921 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HA ' HG22 ' A' ' 6' ' ' ILE . 8.7 ptmt -60.74 -36.1 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.932 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -28.29 55.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.91 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -86.36 -20.33 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.852 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.776 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.3 -36.42 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.068 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.34 -42.71 61.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.862 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.79 -32.44 40.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -60.28 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.917 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.21 -21.1 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.959 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -36.61 48.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.866 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -75.2 -102.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.879 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 -22.41 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.97 59.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 64.24 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 58.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.914 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.776 HD21 HG13 ' A' ' 6' ' ' ILE . 1.9 pp -50.58 -32.67 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.897 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -53.4 -40.94 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 75.43 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.25 -26.34 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -85.54 -63.86 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 34.44 111.103 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 73.52 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -69.62 -18.4 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 6' ' ' ILE . 3.2 pttp -60.77 -36.83 79.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.904 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -27.95 56.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.98 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.762 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.84 -36.19 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.16 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -42.66 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.77 -32.44 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 75.05 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -60.27 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.933 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.682 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.15 -21.21 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.88 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -77.75 -36.89 50.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -74.92 -102.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 61.21 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.68 -22.38 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -76.95 59.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 65.54 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 58.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 63.13 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HG13 ' A' ' 6' ' ' ILE . 1.8 pp -50.85 -31.05 16.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 64.14 110.9 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 10' ' ' LEU . 12.1 pt20 -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.916 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.83 -27.88 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.25 110.851 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -85.55 -61.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 62.51 110.918 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.11 111.09 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.772 0.32 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.586 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -68.82 -18.39 64.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 62.11 110.881 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.548 ' HA ' HG22 ' A' ' 6' ' ' ILE . 1.5 pttt -60.79 -36.52 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 64.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -76.47 -28.07 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.04 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -86.48 -20.57 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.863 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.752 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.15 -36.12 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.125 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -43.03 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 54.32 110.866 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.78 -33.92 40.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 53.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -59.7 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.928 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.679 HD23 HG12 ' A' ' 6' ' ' ILE . 3.4 pp -57.46 -19.98 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -79.09 -36.33 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.878 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -75.24 -102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -122.74 -22.77 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.842 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 59.65 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 54.52 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -76.16 59.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.874 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 6' ' ' ILE . 2.9 pp -51.38 -29.37 15.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.967 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.06 -31.87 20.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.948 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -31.13 22.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.05 110.864 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.43 -30.52 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.113 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 73.31 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.654 ' O ' HG22 ' A' ' 6' ' ' ILE . 29.3 t-105 -64.61 -24.81 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.975 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 6' ' ' ILE . 21.4 ptmt -60.82 -36.53 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.899 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -76.56 -27.27 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.33 110.937 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -17.5 33.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.861 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.719 HG13 HD23 ' A' ' 10' ' ' LEU . 2.4 tp -105.07 -32.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 65.42 111.15 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -50.36 -44.67 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 55.14 110.822 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.7 -35.49 44.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.853 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.61 -59.34 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.95 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.719 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -51.32 -27.02 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -69.5 -41.82 75.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -71.15 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -123.64 -19.69 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.34 57.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.861 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.13 58.72 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.893 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -51.1 -29.24 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 64.15 110.914 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.54 -52.27 48.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 70.43 110.939 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -76.5 -25.78 54.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.823 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.56 11.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 24.42 111.106 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.755 0.312 . . . . 61.12 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.4 t-105 -83.73 -18.49 37.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.911 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 6' ' ' ILE . 16.0 ptmt -61.08 -36.31 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -76.5 -27.98 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 53.23 110.89 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -21.03 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.834 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -98.39 -36.83 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.131 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -52.06 -40.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 61.4 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.39 -34.7 36.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.887 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.698 HD23 HG12 ' A' ' 6' ' ' ILE . 3.0 pp -57.55 -20.25 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.943 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -34.9 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.3 110.891 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -51.34 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -122.82 -117.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.19 76.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -85.39 -82.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.24 110.87 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 6' ' ' ILE . 9.7 mt -88.15 -35.91 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 55.21 110.915 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -33.86 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -40.48 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.833 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.69 -60.98 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.095 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.786 0.327 . . . . 74.25 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.528 ' HZ2' HD22 ' A' ' 16' ' ' LEU . 69.1 t-105 -62.46 -18.96 63.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -59.94 -32.77 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 61.14 110.88 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -78.83 -29.68 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.38 -17.77 35.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.846 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -102.1 -36.63 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.077 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 10' ' ' LEU . 3.3 m -50.98 -39.55 55.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.88 -32.17 40.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.86 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -76.09 -60.12 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 6' ' ' ILE . 4.0 pp -50.39 -23.53 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -34.37 19.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -98.27 -72.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.02 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -120.55 83.51 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.904 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -75.78 57.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.899 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -87.56 -5.41 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.849 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -73.32 -31.93 64.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 71.01 110.916 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -33.75 38.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.51 110.866 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -46.56 53.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 64.22 110.909 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.125 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 71.53 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.634 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.2 t-105 -76.86 -25.81 53.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.91 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 6' ' ' ILE . 9.5 ptmt -61.06 -36.09 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.921 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -27.02 55.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.842 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.87 -17.91 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.44 -32.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.12 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 t -51.44 -43.68 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 54.3 110.827 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.66 -34.36 40.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 6' ' ' ILE . 1.5 tt0 -70.44 -58.0 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -52.68 -26.2 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -62.9 -57.05 12.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 71.52 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.56 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.4 60.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.882 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -75.68 -57.43 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.839 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 6' ' ' ILE . 1.7 pp -86.16 -15.32 41.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 50.34 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -51.26 -44.84 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.952 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -67.13 -42.68 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.84 -57.62 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.892 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.092 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.9 t-105 -76.47 -18.38 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.22 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -60.83 -36.32 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.913 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -76.59 -28.12 56.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 64.21 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -86.22 -20.41 28.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.49 -36.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.163 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.28 -41.2 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 60.32 110.848 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.42 -31.02 37.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.0 tt0 -75.25 -59.53 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.13 110.88 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.19 -20.61 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -41.13 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.868 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -94.2 -67.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.25 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 84.32 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.871 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -75.84 59.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -85.1 -21.77 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.894 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.587 HD21 HG13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -82.96 -23.04 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 53.02 110.915 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.41 -31.57 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.916 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -37.25 42.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.22 -55.56 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 72.42 111.057 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 72.11 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.5 t-105 -81.23 -18.4 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -60.79 -36.91 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.889 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -76.28 -27.84 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.822 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.4 -20.71 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 73.34 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.28 -36.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.58 -41.26 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.834 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.51 -33.14 36.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 65.34 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HG2' HD23 ' A' ' 16' ' ' LEU . 1.9 tt0 -73.07 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.908 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 6' ' ' ILE . 3.6 pp -56.69 -19.45 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.885 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -41.4 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -94.63 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 84.29 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.883 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -76.02 59.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.848 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -21.24 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.865 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -83.99 -22.16 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.51 -29.31 58.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.94 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.77 -32.88 60.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -75.71 -53.64 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 62.45 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.072 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 67.1 t-105 -74.53 -18.52 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 54.32 110.931 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 6' ' ' ILE . 6.0 pttt -61.25 -36.63 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.85 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -27.9 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.86 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -21.04 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 50.04 110.87 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -99.04 -35.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 64.13 111.136 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -51.36 -43.0 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 50.34 110.843 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -33.95 39.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.891 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.893 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.41 -20.97 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.9 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -53.81 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.31 110.862 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -82.46 -44.37 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.24 83.42 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.842 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.77 59.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 65.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -95.81 -36.32 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.859 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 HG13 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.92 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -30.56 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.911 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -82.22 -44.14 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.885 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 40.31 111.129 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.782 0.325 . . . . 53.02 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.58 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.3 t-105 -62.17 -18.37 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.933 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.41 -36.17 77.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.904 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.89 -28.3 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -86.27 -19.68 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.717 HG13 HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -100.18 -36.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.44 111.164 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -51.2 -41.33 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.51 -30.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.26 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.876 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.642 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.56 -20.38 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.892 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -79.02 -40.84 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -66.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.849 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -121.4 84.34 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.856 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.04 59.65 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 51.13 110.872 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -76.52 -26.45 55.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.897 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.717 HD11 HG13 ' A' ' 6' ' ' ILE . 1.8 pt? -79.73 -22.12 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.38 -32.27 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 55.04 110.889 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -84.15 -24.77 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -79.89 -56.26 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.939 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 71.13 111.138 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 74.14 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.632 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.0 t-105 -72.57 -26.09 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.882 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 6' ' ' ILE . 20.3 ptmt -60.74 -36.15 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 73.22 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.91 -26.98 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.52 -17.8 33.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.893 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.784 HG13 HD23 ' A' ' 10' ' ' LEU . 3.4 tp -105.03 -33.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.5 m -48.95 -45.27 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.1 110.911 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.0 -29.97 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.725 ' HB3' HD12 ' A' ' 6' ' ' ILE . 2.9 tt0 -72.14 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 6' ' ' ILE . 3.9 pp -50.73 -29.07 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.92 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.2 -57.8 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.02 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -78.01 -45.7 23.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.67 83.86 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 73.1 110.814 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -75.24 60.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.65 -59.24 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.89 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.44 -15.23 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.936 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -57.04 -36.14 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.887 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -82.48 -32.89 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.856 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.52 -49.69 68.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 50.53 111.124 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 64.41 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 6' ' ' ILE . 66.7 t-105 -83.71 -18.6 37.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -60.67 -36.37 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.941 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -76.75 -27.95 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -19.41 30.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.905 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.628 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -101.32 -35.66 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.141 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.32 -42.71 53.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 44.03 110.862 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.25 -28.28 38.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.07 -60.12 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 6' ' ' ILE . 3.8 pp -51.8 -23.1 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 55.44 110.901 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -74.34 -46.88 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -113.19 -70.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.83 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 66.24 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.833 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -75.48 59.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 ttm-85 -67.52 -39.26 85.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.858 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD12 HG13 ' A' ' 6' ' ' ILE . 31.8 mt -51.7 -55.71 17.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 62.24 110.942 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.94 -29.44 28.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -81.76 -32.71 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.872 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -78.43 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.051 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 74.24 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.8 t-105 -79.27 -18.35 52.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.33 -36.21 79.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.14 110.889 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -76.37 -28.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.34 -21.77 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.85 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.69 -36.41 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.15 111.145 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.57 -42.84 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 44.14 110.822 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 -29.58 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.931 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.85 -59.81 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 54.41 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.21 -18.15 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.6 -46.24 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.874 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -114.05 -70.12 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 64.26 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.871 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.14 59.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 54.34 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.48 -8.21 39.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.912 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.56 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 7.4 tp -75.88 -27.43 57.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.922 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -40.85 60.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.918 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -23.61 30.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' HB2' HD12 ' A' ' 16' ' ' LEU . 9.0 mt-30 -65.89 -35.96 82.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 54.3 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.129 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 73.23 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.7 t-105 -75.12 -18.28 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.5 ptmm? -61.45 -36.22 79.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -76.3 -28.04 56.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 70.23 110.898 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -86.32 -22.09 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.816 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.718 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.43 -36.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 61.33 111.127 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 t -51.56 -42.89 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 53.33 110.884 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.27 -29.71 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -74.74 -59.87 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.42 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.27 -18.08 24.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -45.63 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -114.24 -69.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.854 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 64.49 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.852 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -75.16 59.68 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 70.52 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -95.22 -9.96 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.868 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -71.83 -32.01 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.965 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -51.9 -34.22 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -85.46 -26.02 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.46 -56.49 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.02 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.33 111.153 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.75 0.31 . . . . 73.02 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.5 t-105 -71.25 -18.88 62.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.908 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.39 -32.05 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 64.23 110.923 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -79.24 -30.05 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.843 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -85.79 -18.3 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -100.98 -36.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.1 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 t -51.46 -41.97 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.832 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.49 -32.59 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 74.24 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -73.25 -58.86 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -57.32 -18.91 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.959 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -79.72 -41.13 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -95.28 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.13 84.11 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.33 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.11 59.61 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.34 -20.73 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -84.38 -21.45 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.05 110.917 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -32.64 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.861 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -82.41 -29.24 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.54 110.892 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -62.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.061 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 64.33 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CZ2' HD13 ' A' ' 16' ' ' LEU . 45.1 t-105 -64.81 -18.73 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.535 ' HA ' HG22 ' A' ' 6' ' ' ILE . 11.7 ptmt -62.7 -36.68 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.894 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -75.66 -27.12 58.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -23.46 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -96.28 -36.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.144 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -52.02 -42.55 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.814 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.79 -28.59 36.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.868 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -59.7 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -53.42 -20.72 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.4 -45.96 24.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -66.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.58 82.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.925 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -75.68 57.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -83.05 -28.15 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 52.1 mt -51.87 -55.7 18.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 54.22 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -29.45 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -82.5 -30.7 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.67 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.05 110.916 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 60.25 111.114 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.797 0.332 . . . . 74.15 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.561 ' O ' HG22 ' A' ' 6' ' ' ILE . 73.5 t-105 -83.57 -18.27 38.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.917 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -59.69 -36.45 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.51 110.896 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -76.79 -28.47 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 65.23 110.863 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -86.21 -18.71 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.827 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -101.61 -35.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.4 111.119 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -50.2 -45.72 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.76 -30.29 40.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.918 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.3 tt0 -73.2 -60.46 2.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.938 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -51.9 -24.17 5.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.925 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -56.53 13.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.858 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -83.15 -45.84 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 83.58 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.89 -15.99 15.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 52.32 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -42.63 -38.73 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.15 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 9' ' ' GLN . 3.4 tp -67.93 -53.34 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 53.34 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.0 -36.1 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -85.79 -24.19 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.26 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.928 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.134 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 64.35 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 77.2 t-105 -70.43 -18.05 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.9 ptmt -58.51 -36.82 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 75.2 110.873 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -77.04 -29.34 55.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.884 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -17.59 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.14 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' CG1' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -103.66 -34.36 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.168 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.449 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.4 m -48.74 -45.36 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.867 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.21 -32.59 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.895 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -71.21 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.935 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.8 pp -51.51 -25.21 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.924 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -63.78 -56.34 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 52.42 110.863 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -81.04 -47.04 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.96 82.87 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.868 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.34 -7.86 34.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -51.92 -32.04 31.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD21 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -56.59 -24.47 47.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 62.5 110.945 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.83 -33.1 47.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.932 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -80.19 -40.42 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -65.35 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.12 111.103 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 63.24 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.652 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.8 t-105 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 71.53 110.947 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.6 ptmm? -60.67 -36.52 78.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.86 -26.7 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.829 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -86.63 -17.72 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 61.25 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.778 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.64 -34.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.161 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.8 t -50.8 -40.09 54.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.861 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.18 -34.06 37.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 55.14 110.892 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -73.14 -58.52 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.903 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 6' ' ' ILE . 4.1 pp -51.35 -23.25 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -38.92 36.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.854 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -96.22 -67.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 82.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.6 p30 -74.34 61.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.859 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -81.96 -13.74 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.841 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -74.56 -20.2 60.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.923 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 6.5 tt0 -52.99 -31.44 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.926 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -82.71 -34.87 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.867 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.88 -45.53 89.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 54.03 111.075 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.806 0.336 . . . . 73.22 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.1 t-105 -70.44 -18.41 63.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 72.05 110.921 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HA ' HG22 ' A' ' 6' ' ' ILE . 8.7 ptmt -60.74 -36.1 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.932 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -28.29 55.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.91 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -86.36 -20.33 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.852 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.776 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.3 -36.42 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.068 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.34 -42.71 61.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.862 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.79 -32.44 40.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -60.28 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.917 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.21 -21.1 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.959 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -36.61 48.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.866 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -75.2 -102.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.879 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 -22.41 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.97 59.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 64.24 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 58.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.914 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.776 HD21 HG13 ' A' ' 6' ' ' ILE . 1.9 pp -50.58 -32.67 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.897 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -53.4 -40.94 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 75.43 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.25 -26.34 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -85.54 -63.86 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 34.44 111.103 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 73.52 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -69.62 -18.4 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 6' ' ' ILE . 3.2 pttp -60.77 -36.83 79.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.904 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -27.95 56.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.98 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.762 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.84 -36.19 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.16 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -42.66 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.77 -32.44 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 75.05 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -60.27 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.933 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.682 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.15 -21.21 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.88 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -77.75 -36.89 50.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -74.92 -102.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 61.21 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.68 -22.38 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -76.95 59.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 65.54 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 58.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 63.13 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HG13 ' A' ' 6' ' ' ILE . 1.8 pp -50.85 -31.05 16.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 64.14 110.9 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 10' ' ' LEU . 12.1 pt20 -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.916 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.83 -27.88 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.25 110.851 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -85.55 -61.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 62.51 110.918 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.11 111.09 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.772 0.32 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.586 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -68.82 -18.39 64.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 62.11 110.881 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.548 ' HA ' HG22 ' A' ' 6' ' ' ILE . 1.5 pttt -60.79 -36.52 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 64.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -76.47 -28.07 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.04 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -86.48 -20.57 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.863 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.752 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.15 -36.12 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.125 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -43.03 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 54.32 110.866 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.78 -33.92 40.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 53.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -59.7 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.928 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.679 HD23 HG12 ' A' ' 6' ' ' ILE . 3.4 pp -57.46 -19.98 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -79.09 -36.33 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.878 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -75.24 -102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -122.74 -22.77 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.842 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 59.65 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 54.52 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -76.16 59.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.874 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 6' ' ' ILE . 2.9 pp -51.38 -29.37 15.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.967 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.06 -31.87 20.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.948 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -31.13 22.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.05 110.864 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.43 -30.52 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.113 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 73.31 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.654 ' O ' HG22 ' A' ' 6' ' ' ILE . 29.3 t-105 -64.61 -24.81 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.975 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 6' ' ' ILE . 21.4 ptmt -60.82 -36.53 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.899 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -76.56 -27.27 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.33 110.937 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -17.5 33.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.861 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.719 HG13 HD23 ' A' ' 10' ' ' LEU . 2.4 tp -105.07 -32.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 65.42 111.15 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -50.36 -44.67 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 55.14 110.822 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.7 -35.49 44.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.853 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.61 -59.34 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.95 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.719 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -51.32 -27.02 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -69.5 -41.82 75.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -71.15 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -123.64 -19.69 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.34 57.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.861 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.13 58.72 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.893 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -51.1 -29.24 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 64.15 110.914 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.54 -52.27 48.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 70.43 110.939 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -76.5 -25.78 54.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.823 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.56 11.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 24.42 111.106 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.755 0.312 . . . . 61.12 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.4 t-105 -83.73 -18.49 37.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.911 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 6' ' ' ILE . 16.0 ptmt -61.08 -36.31 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -76.5 -27.98 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 53.23 110.89 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -21.03 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.834 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -98.39 -36.83 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.131 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -52.06 -40.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 61.4 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.39 -34.7 36.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.887 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.698 HD23 HG12 ' A' ' 6' ' ' ILE . 3.0 pp -57.55 -20.25 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.943 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -34.9 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.3 110.891 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -51.34 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -122.82 -117.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.19 76.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -85.39 -82.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.24 110.87 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 6' ' ' ILE . 9.7 mt -88.15 -35.91 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 55.21 110.915 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -33.86 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -40.48 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.833 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.69 -60.98 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.095 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.786 0.327 . . . . 74.25 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.528 ' HZ2' HD22 ' A' ' 16' ' ' LEU . 69.1 t-105 -62.46 -18.96 63.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -59.94 -32.77 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 61.14 110.88 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -78.83 -29.68 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.38 -17.77 35.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.846 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -102.1 -36.63 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.077 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 10' ' ' LEU . 3.3 m -50.98 -39.55 55.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.88 -32.17 40.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.86 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -76.09 -60.12 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 6' ' ' ILE . 4.0 pp -50.39 -23.53 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -34.37 19.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -98.27 -72.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.02 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -120.55 83.51 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.904 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -75.78 57.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.899 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -87.56 -5.41 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.849 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -73.32 -31.93 64.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 71.01 110.916 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -33.75 38.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.51 110.866 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -46.56 53.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 64.22 110.909 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.125 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 71.53 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.634 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.2 t-105 -76.86 -25.81 53.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.91 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 6' ' ' ILE . 9.5 ptmt -61.06 -36.09 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.921 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -27.02 55.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.842 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.87 -17.91 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.44 -32.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.12 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 t -51.44 -43.68 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 54.3 110.827 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.66 -34.36 40.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 6' ' ' ILE . 1.5 tt0 -70.44 -58.0 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -52.68 -26.2 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -62.9 -57.05 12.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 71.52 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.56 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.4 60.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.882 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -75.68 -57.43 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.839 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 6' ' ' ILE . 1.7 pp -86.16 -15.32 41.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 50.34 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -51.26 -44.84 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.952 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -67.13 -42.68 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.84 -57.62 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.892 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.092 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.9 t-105 -76.47 -18.38 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.22 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -60.83 -36.32 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.913 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -76.59 -28.12 56.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 64.21 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -86.22 -20.41 28.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.49 -36.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.163 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.28 -41.2 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 60.32 110.848 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.42 -31.02 37.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.0 tt0 -75.25 -59.53 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.13 110.88 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.19 -20.61 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -41.13 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.868 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -94.2 -67.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.25 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 84.32 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.871 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -75.84 59.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -85.1 -21.77 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.894 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.587 HD21 HG13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -82.96 -23.04 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 53.02 110.915 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.41 -31.57 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.916 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -37.25 42.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.22 -55.56 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 72.42 111.057 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 72.11 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.5 t-105 -81.23 -18.4 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -60.79 -36.91 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.889 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -76.28 -27.84 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.822 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.4 -20.71 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 73.34 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.28 -36.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.58 -41.26 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.834 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.51 -33.14 36.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 65.34 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HG2' HD23 ' A' ' 16' ' ' LEU . 1.9 tt0 -73.07 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.908 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 6' ' ' ILE . 3.6 pp -56.69 -19.45 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.885 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -41.4 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -94.63 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 84.29 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.883 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -76.02 59.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.848 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -21.24 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.865 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -83.99 -22.16 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.51 -29.31 58.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.94 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.77 -32.88 60.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -75.71 -53.64 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 62.45 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.072 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 67.1 t-105 -74.53 -18.52 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 54.32 110.931 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 6' ' ' ILE . 6.0 pttt -61.25 -36.63 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.85 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -27.9 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.86 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -21.04 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 50.04 110.87 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -99.04 -35.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 64.13 111.136 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -51.36 -43.0 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 50.34 110.843 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -33.95 39.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.891 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.893 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.41 -20.97 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.9 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -53.81 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.31 110.862 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -82.46 -44.37 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.24 83.42 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.842 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.77 59.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 65.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -95.81 -36.32 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.859 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 HG13 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.92 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -30.56 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.911 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -82.22 -44.14 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.885 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 40.31 111.129 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.782 0.325 . . . . 53.02 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.58 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.3 t-105 -62.17 -18.37 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.933 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.41 -36.17 77.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.904 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.89 -28.3 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -86.27 -19.68 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.717 HG13 HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -100.18 -36.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.44 111.164 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -51.2 -41.33 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.51 -30.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.26 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.876 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.642 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.56 -20.38 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.892 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -79.02 -40.84 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -66.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.849 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -121.4 84.34 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.856 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.04 59.65 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 51.13 110.872 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -76.52 -26.45 55.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.897 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.717 HD11 HG13 ' A' ' 6' ' ' ILE . 1.8 pt? -79.73 -22.12 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.38 -32.27 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 55.04 110.889 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -84.15 -24.77 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -79.89 -56.26 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.939 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 71.13 111.138 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 74.14 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.632 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.0 t-105 -72.57 -26.09 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.882 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 6' ' ' ILE . 20.3 ptmt -60.74 -36.15 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 73.22 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.91 -26.98 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.52 -17.8 33.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.893 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.784 HG13 HD23 ' A' ' 10' ' ' LEU . 3.4 tp -105.03 -33.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.5 m -48.95 -45.27 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.1 110.911 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.0 -29.97 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.725 ' HB3' HD12 ' A' ' 6' ' ' ILE . 2.9 tt0 -72.14 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 6' ' ' ILE . 3.9 pp -50.73 -29.07 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.92 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.2 -57.8 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.02 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -78.01 -45.7 23.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.67 83.86 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 73.1 110.814 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -75.24 60.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.65 -59.24 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.89 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.44 -15.23 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.936 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -57.04 -36.14 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.887 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -82.48 -32.89 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.856 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.52 -49.69 68.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 50.53 111.124 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 64.41 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 6' ' ' ILE . 66.7 t-105 -83.71 -18.6 37.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -60.67 -36.37 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.941 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -76.75 -27.95 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -19.41 30.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.905 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.628 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -101.32 -35.66 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.141 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.32 -42.71 53.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 44.03 110.862 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.25 -28.28 38.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.07 -60.12 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 6' ' ' ILE . 3.8 pp -51.8 -23.1 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 55.44 110.901 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -74.34 -46.88 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -113.19 -70.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.83 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 66.24 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.833 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -75.48 59.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 ttm-85 -67.52 -39.26 85.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.858 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD12 HG13 ' A' ' 6' ' ' ILE . 31.8 mt -51.7 -55.71 17.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 62.24 110.942 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.94 -29.44 28.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -81.76 -32.71 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.872 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -78.43 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.051 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 74.24 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.8 t-105 -79.27 -18.35 52.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.33 -36.21 79.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.14 110.889 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -76.37 -28.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.34 -21.77 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.85 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.69 -36.41 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.15 111.145 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.57 -42.84 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 44.14 110.822 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 -29.58 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.931 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.85 -59.81 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 54.41 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.21 -18.15 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.6 -46.24 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.874 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -114.05 -70.12 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 64.26 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.871 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.14 59.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 54.34 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.48 -8.21 39.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.912 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.56 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 7.4 tp -75.88 -27.43 57.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.922 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -40.85 60.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.918 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -23.61 30.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' HB2' HD12 ' A' ' 16' ' ' LEU . 9.0 mt-30 -65.89 -35.96 82.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 54.3 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.129 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 73.23 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.7 t-105 -75.12 -18.28 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.5 ptmm? -61.45 -36.22 79.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -76.3 -28.04 56.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 70.23 110.898 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -86.32 -22.09 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.816 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.718 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.43 -36.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 61.33 111.127 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 t -51.56 -42.89 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 53.33 110.884 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.27 -29.71 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -74.74 -59.87 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.42 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.27 -18.08 24.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -45.63 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -114.24 -69.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.854 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 64.49 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.852 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -75.16 59.68 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 70.52 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -95.22 -9.96 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.868 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -71.83 -32.01 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.965 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -51.9 -34.22 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -85.46 -26.02 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.46 -56.49 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.02 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.33 111.153 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.75 0.31 . . . . 73.02 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.5 t-105 -71.25 -18.88 62.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.908 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.39 -32.05 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 64.23 110.923 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -79.24 -30.05 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.843 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -85.79 -18.3 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -100.98 -36.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.1 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 t -51.46 -41.97 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.832 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.49 -32.59 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 74.24 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -73.25 -58.86 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -57.32 -18.91 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.959 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -79.72 -41.13 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -95.28 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.13 84.11 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.33 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.11 59.61 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.34 -20.73 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -84.38 -21.45 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.05 110.917 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -32.64 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.861 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -82.41 -29.24 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.54 110.892 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -62.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.061 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 64.33 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CZ2' HD13 ' A' ' 16' ' ' LEU . 45.1 t-105 -64.81 -18.73 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.535 ' HA ' HG22 ' A' ' 6' ' ' ILE . 11.7 ptmt -62.7 -36.68 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.894 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -75.66 -27.12 58.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -23.46 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -96.28 -36.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.144 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -52.02 -42.55 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.814 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.79 -28.59 36.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.868 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -59.7 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.557 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -53.42 -20.72 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.4 -45.96 24.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -66.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.58 82.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.925 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -75.68 57.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -83.05 -28.15 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 52.1 mt -51.87 -55.7 18.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 54.22 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -29.45 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -82.5 -30.7 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.67 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.05 110.916 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 60.25 111.114 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.797 0.332 . . . . 74.15 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.561 ' O ' HG22 ' A' ' 6' ' ' ILE . 73.5 t-105 -83.57 -18.27 38.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.917 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -59.69 -36.45 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.51 110.896 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -76.79 -28.47 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 65.23 110.863 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -86.21 -18.71 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.827 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -101.61 -35.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.4 111.119 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -50.2 -45.72 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.76 -30.29 40.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.918 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.3 tt0 -73.2 -60.46 2.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.938 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -51.9 -24.17 5.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.925 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -56.53 13.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.858 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -83.15 -45.84 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 83.58 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.89 -15.99 15.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 52.32 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -42.63 -38.73 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.15 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 9' ' ' GLN . 3.4 tp -67.93 -53.34 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 53.34 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.0 -36.1 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -85.79 -24.19 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.26 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.928 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.134 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 64.35 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 77.2 t-105 -70.43 -18.05 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.9 ptmt -58.51 -36.82 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 75.2 110.873 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -77.04 -29.34 55.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.884 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -17.59 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.14 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.611 ' CG1' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -103.66 -34.36 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.168 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.449 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.4 m -48.74 -45.36 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.867 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.21 -32.59 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.895 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -71.21 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.935 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.8 pp -51.51 -25.21 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.924 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -63.78 -56.34 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 52.42 110.863 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -81.04 -47.04 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.96 82.87 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.868 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.34 -7.86 34.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -51.92 -32.04 31.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD21 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -56.59 -24.47 47.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 62.5 110.945 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.83 -33.1 47.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.932 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -80.19 -40.42 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -65.35 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.12 111.103 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 63.24 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.652 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.8 t-105 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 71.53 110.947 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.6 ptmm? -60.67 -36.52 78.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.86 -26.7 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.829 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -86.63 -17.72 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 61.25 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.778 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.64 -34.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.161 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.8 t -50.8 -40.09 54.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.861 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.18 -34.06 37.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 55.14 110.892 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -73.14 -58.52 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.903 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 6' ' ' ILE . 4.1 pp -51.35 -23.25 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -38.92 36.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.854 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -96.22 -67.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 82.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.6 p30 -74.34 61.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.859 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -81.96 -13.74 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.841 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -74.56 -20.2 60.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.923 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 6.5 tt0 -52.99 -31.44 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.926 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -82.71 -34.87 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.867 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.88 -45.53 89.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 54.03 111.075 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.806 0.336 . . . . 73.22 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.1 t-105 -70.44 -18.41 63.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 72.05 110.921 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HA ' HG22 ' A' ' 6' ' ' ILE . 8.7 ptmt -60.74 -36.1 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.932 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -28.29 55.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.91 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -86.36 -20.33 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.852 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.776 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.3 -36.42 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.068 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.34 -42.71 61.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.862 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.79 -32.44 40.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -60.28 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.917 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.21 -21.1 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.959 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -36.61 48.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.866 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -75.2 -102.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.879 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 -22.41 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.97 59.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 64.24 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 58.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.914 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.776 HD21 HG13 ' A' ' 6' ' ' ILE . 1.9 pp -50.58 -32.67 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.897 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -53.4 -40.94 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 75.43 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.25 -26.34 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -85.54 -63.86 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 34.44 111.103 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 73.52 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -69.62 -18.4 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 6' ' ' ILE . 3.2 pttp -60.77 -36.83 79.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.904 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -27.95 56.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.98 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.762 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.84 -36.19 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.16 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -42.66 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.77 -32.44 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 75.05 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -60.27 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.933 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.682 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.15 -21.21 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.88 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -77.75 -36.89 50.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -74.92 -102.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 61.21 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.68 -22.38 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -76.95 59.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 65.54 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 58.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 63.13 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HG13 ' A' ' 6' ' ' ILE . 1.8 pp -50.85 -31.05 16.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 64.14 110.9 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 10' ' ' LEU . 12.1 pt20 -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.916 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.83 -27.88 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.25 110.851 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -85.55 -61.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 62.51 110.918 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.11 111.09 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.772 0.32 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.586 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -68.82 -18.39 64.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 62.11 110.881 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.548 ' HA ' HG22 ' A' ' 6' ' ' ILE . 1.5 pttt -60.79 -36.52 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 64.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -76.47 -28.07 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.04 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -86.48 -20.57 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.863 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.752 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.15 -36.12 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.125 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -43.03 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 54.32 110.866 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.78 -33.92 40.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 53.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -59.7 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.928 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.679 HD23 HG12 ' A' ' 6' ' ' ILE . 3.4 pp -57.46 -19.98 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -79.09 -36.33 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.878 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -75.24 -102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -122.74 -22.77 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.842 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 59.65 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 54.52 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -76.16 59.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.874 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 6' ' ' ILE . 2.9 pp -51.38 -29.37 15.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.967 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.06 -31.87 20.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.948 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -31.13 22.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.05 110.864 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.43 -30.52 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.113 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 73.31 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.654 ' O ' HG22 ' A' ' 6' ' ' ILE . 29.3 t-105 -64.61 -24.81 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.975 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 6' ' ' ILE . 21.4 ptmt -60.82 -36.53 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.899 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -76.56 -27.27 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.33 110.937 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -17.5 33.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.861 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.719 HG13 HD23 ' A' ' 10' ' ' LEU . 2.4 tp -105.07 -32.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 65.42 111.15 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -50.36 -44.67 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 55.14 110.822 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.7 -35.49 44.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.853 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.61 -59.34 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.95 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.719 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -51.32 -27.02 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -69.5 -41.82 75.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -71.15 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -123.64 -19.69 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.34 57.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.861 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.13 58.72 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.893 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -51.1 -29.24 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 64.15 110.914 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.54 -52.27 48.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 70.43 110.939 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -76.5 -25.78 54.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.823 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.56 11.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 24.42 111.106 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.755 0.312 . . . . 61.12 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.4 t-105 -83.73 -18.49 37.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.911 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 6' ' ' ILE . 16.0 ptmt -61.08 -36.31 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -76.5 -27.98 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 53.23 110.89 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -21.03 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.834 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -98.39 -36.83 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.131 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -52.06 -40.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 61.4 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.39 -34.7 36.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.887 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.698 HD23 HG12 ' A' ' 6' ' ' ILE . 3.0 pp -57.55 -20.25 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.943 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -34.9 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.3 110.891 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -51.34 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -122.82 -117.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.19 76.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -85.39 -82.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.24 110.87 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 6' ' ' ILE . 9.7 mt -88.15 -35.91 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 55.21 110.915 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -33.86 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -40.48 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.833 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.69 -60.98 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.095 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.786 0.327 . . . . 74.25 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.528 ' HZ2' HD22 ' A' ' 16' ' ' LEU . 69.1 t-105 -62.46 -18.96 63.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -59.94 -32.77 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 61.14 110.88 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -78.83 -29.68 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.38 -17.77 35.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.846 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -102.1 -36.63 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.077 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 10' ' ' LEU . 3.3 m -50.98 -39.55 55.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.88 -32.17 40.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.86 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -76.09 -60.12 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 6' ' ' ILE . 4.0 pp -50.39 -23.53 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -34.37 19.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -98.27 -72.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.02 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -120.55 83.51 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.904 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -75.78 57.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.899 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -87.56 -5.41 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.849 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -73.32 -31.93 64.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 71.01 110.916 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -33.75 38.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.51 110.866 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -46.56 53.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 64.22 110.909 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.125 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 71.53 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.634 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.2 t-105 -76.86 -25.81 53.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.91 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 6' ' ' ILE . 9.5 ptmt -61.06 -36.09 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.921 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -27.02 55.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.842 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.87 -17.91 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.44 -32.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.12 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 t -51.44 -43.68 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 54.3 110.827 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.66 -34.36 40.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 6' ' ' ILE . 1.5 tt0 -70.44 -58.0 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -52.68 -26.2 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -62.9 -57.05 12.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 71.52 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.56 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.4 60.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.882 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -75.68 -57.43 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.839 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 6' ' ' ILE . 1.7 pp -86.16 -15.32 41.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 50.34 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -51.26 -44.84 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.952 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -67.13 -42.68 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.84 -57.62 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.892 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.092 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.9 t-105 -76.47 -18.38 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.22 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -60.83 -36.32 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.913 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -76.59 -28.12 56.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 64.21 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -86.22 -20.41 28.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.49 -36.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.163 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.28 -41.2 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 60.32 110.848 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.42 -31.02 37.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.0 tt0 -75.25 -59.53 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.13 110.88 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.19 -20.61 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -41.13 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.868 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -94.2 -67.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.25 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 84.32 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.871 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -75.84 59.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -85.1 -21.77 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.894 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.587 HD21 HG13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -82.96 -23.04 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 53.02 110.915 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.41 -31.57 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.916 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -37.25 42.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.22 -55.56 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 72.42 111.057 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 72.11 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.5 t-105 -81.23 -18.4 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -60.79 -36.91 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.889 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -76.28 -27.84 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.822 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.4 -20.71 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 73.34 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -99.28 -36.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -51.58 -41.26 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.834 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.51 -33.14 36.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 65.34 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HG2' HD23 ' A' ' 16' ' ' LEU . 1.9 tt0 -73.07 -58.72 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.908 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 6' ' ' ILE . 3.6 pp -56.69 -19.45 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.885 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -41.4 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -94.63 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 84.29 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.883 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -76.02 59.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.848 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -21.24 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.865 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -83.99 -22.16 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.51 -29.31 58.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.94 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.77 -32.88 60.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -75.71 -53.64 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 62.45 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.072 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' O ' HG22 ' A' ' 6' ' ' ILE . 67.1 t-105 -74.53 -18.52 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 54.32 110.931 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 6' ' ' ILE . 6.0 pttt -61.25 -36.63 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.85 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -27.9 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.86 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -21.04 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 50.04 110.87 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -99.04 -35.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 64.13 111.136 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -51.36 -43.0 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 50.34 110.843 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -33.95 39.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.891 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.893 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.41 -20.97 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.9 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -53.81 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.31 110.862 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -82.46 -44.37 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.24 83.42 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.842 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.77 59.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 65.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -95.81 -36.32 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.859 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 HG13 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.92 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -30.56 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.911 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -82.22 -44.14 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.885 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 40.31 111.129 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.782 0.325 . . . . 53.02 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.58 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.3 t-105 -62.17 -18.37 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.933 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.41 -36.17 77.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.904 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.89 -28.3 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -86.27 -19.68 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.717 HG13 HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -100.18 -36.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.44 111.164 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -51.2 -41.33 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.51 -30.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.26 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.876 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.642 HD23 HG12 ' A' ' 6' ' ' ILE . 3.7 pp -55.56 -20.38 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.892 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -79.02 -40.84 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -66.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.849 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -121.4 84.34 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.856 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.04 59.65 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 51.13 110.872 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -76.52 -26.45 55.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.897 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.717 HD11 HG13 ' A' ' 6' ' ' ILE . 1.8 pt? -79.73 -22.12 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.38 -32.27 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 55.04 110.889 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -84.15 -24.77 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -79.89 -56.26 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.939 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 71.13 111.138 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 74.14 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.632 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.0 t-105 -72.57 -26.09 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.882 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 6' ' ' ILE . 20.3 ptmt -60.74 -36.15 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.414 . . . . 73.22 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.91 -26.98 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.52 -17.8 33.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.893 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.784 HG13 HD23 ' A' ' 10' ' ' LEU . 3.4 tp -105.03 -33.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.5 m -48.95 -45.27 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.1 110.911 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.0 -29.97 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.725 ' HB3' HD12 ' A' ' 6' ' ' ILE . 2.9 tt0 -72.14 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.936 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 6' ' ' ILE . 3.9 pp -50.73 -29.07 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.92 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.2 -57.8 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.02 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -78.01 -45.7 23.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.67 83.86 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 73.1 110.814 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -75.24 60.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.65 -59.24 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.89 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.44 -15.23 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.936 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -57.04 -36.14 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.887 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -82.48 -32.89 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.856 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.52 -49.69 68.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 50.53 111.124 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 64.41 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.564 ' O ' HG22 ' A' ' 6' ' ' ILE . 66.7 t-105 -83.71 -18.6 37.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -60.67 -36.37 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.941 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -76.75 -27.95 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -19.41 30.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.905 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.628 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -101.32 -35.66 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.141 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -50.32 -42.71 53.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 44.03 110.862 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.25 -28.28 38.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.07 -60.12 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 6' ' ' ILE . 3.8 pp -51.8 -23.1 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 55.44 110.901 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -74.34 -46.88 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -113.19 -70.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.83 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 66.24 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.833 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -75.48 59.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 ttm-85 -67.52 -39.26 85.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.858 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD12 HG13 ' A' ' 6' ' ' ILE . 31.8 mt -51.7 -55.71 17.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 62.24 110.942 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.94 -29.44 28.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -81.76 -32.71 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.872 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -78.43 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.051 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 74.24 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.8 t-105 -79.27 -18.35 52.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.33 -36.21 79.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.14 110.889 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -76.37 -28.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.34 -21.77 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.85 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.69 -36.41 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.15 111.145 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.57 -42.84 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 44.14 110.822 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 -29.58 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.931 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.85 -59.81 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 54.41 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.21 -18.15 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.6 -46.24 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.874 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -114.05 -70.12 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 64.26 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.871 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.14 59.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 54.34 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.48 -8.21 39.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.912 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.56 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 7.4 tp -75.88 -27.43 57.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.922 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -40.85 60.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.918 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -23.61 30.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' HB2' HD12 ' A' ' 16' ' ' LEU . 9.0 mt-30 -65.89 -35.96 82.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 54.3 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.129 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 73.23 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' ILE . 68.7 t-105 -75.12 -18.28 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.5 ptmm? -61.45 -36.22 79.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -76.3 -28.04 56.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 70.23 110.898 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -86.32 -22.09 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.816 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.718 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -97.43 -36.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 61.33 111.127 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 t -51.56 -42.89 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 53.33 110.884 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.27 -29.71 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -74.74 -59.87 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.42 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 6' ' ' ILE . 3.3 pp -58.27 -18.08 24.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -45.63 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -114.24 -69.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.854 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 64.49 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.852 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -75.16 59.68 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 70.52 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -95.22 -9.96 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.868 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 5.6 tp -71.83 -32.01 67.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.965 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -51.9 -34.22 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -85.46 -26.02 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.46 -56.49 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.02 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.33 111.153 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.75 0.31 . . . . 73.02 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.5 t-105 -71.25 -18.88 62.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.908 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.39 -32.05 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 64.23 110.923 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -79.24 -30.05 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.843 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -85.79 -18.3 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -100.98 -36.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.1 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 t -51.46 -41.97 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.832 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.49 -32.59 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 74.24 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -73.25 -58.86 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -57.32 -18.91 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.959 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -79.72 -41.13 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -95.28 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.13 84.11 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.33 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.11 59.61 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.34 -20.73 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -84.38 -21.45 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 64.05 110.917 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -32.64 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.861 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -82.41 -29.24 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.54 110.892 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -62.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.061 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 64.33 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CZ2' HD13 ' A' ' 16' ' ' LEU . 45.1 t-105 -64.81 -18.73 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.535 ' HA ' HG22 ' A' ' 6' ' ' ILE . 11.7 ptmt -62.7 -36.68 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.894 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -75.66 -27.12 58.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -23.46 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -96.28 -36.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.144 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -52.02 -42.55 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.814 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.79 -28.59 36.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.868 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -59.7 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -53.42 -20.72 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.4 -45.96 24.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -66.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.58 82.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.925 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -75.68 57.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -83.05 -28.15 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 52.1 mt -51.87 -55.7 18.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 54.22 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -29.45 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -82.5 -30.7 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.67 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.05 110.916 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 60.25 111.114 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.797 0.332 . . . . 74.15 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.561 ' O ' HG22 ' A' ' 6' ' ' ILE . 73.5 t-105 -83.57 -18.27 38.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.917 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -59.69 -36.45 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.51 110.896 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -76.79 -28.47 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 65.23 110.863 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -86.21 -18.71 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.827 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -101.61 -35.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.4 111.119 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -50.2 -45.72 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.76 -30.29 40.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.918 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 16' ' ' LEU . 3.3 tt0 -73.2 -60.46 2.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.938 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 6' ' ' ILE . 3.9 pp -51.9 -24.17 5.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.925 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -56.53 13.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.858 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -83.15 -45.84 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 83.58 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.89 -15.99 15.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 52.32 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -42.63 -38.73 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.15 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 9' ' ' GLN . 3.4 tp -67.93 -53.34 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 53.34 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.0 -36.1 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -85.79 -24.19 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.26 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.928 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.134 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 64.35 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 77.2 t-105 -70.43 -18.05 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.9 ptmt -58.51 -36.82 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 75.2 110.873 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -77.04 -29.34 55.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.884 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -17.59 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.14 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' CG1' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -103.66 -34.36 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.168 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.449 ' HA ' HD21 ' A' ' 10' ' ' LEU . 2.4 m -48.74 -45.36 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.867 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.21 -32.59 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.895 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -71.21 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.935 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.8 pp -51.51 -25.21 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.924 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -63.78 -56.34 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 52.42 110.863 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -81.04 -47.04 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.96 82.87 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.868 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.34 -7.86 34.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -51.92 -32.04 31.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD21 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -56.59 -24.47 47.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 62.5 110.945 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.83 -33.1 47.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.932 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -80.19 -40.42 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -65.35 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.12 111.103 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 63.24 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.652 ' O ' HG22 ' A' ' 6' ' ' ILE . 20.8 t-105 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 71.53 110.947 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' ILE . 2.6 ptmm? -60.67 -36.52 78.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.86 -26.7 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.829 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -86.63 -17.72 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 61.25 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.778 HG13 HD23 ' A' ' 10' ' ' LEU . 2.5 tp -104.64 -34.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.161 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.8 t -50.8 -40.09 54.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.861 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.18 -34.06 37.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 55.14 110.892 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -73.14 -58.52 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.903 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 6' ' ' ILE . 4.1 pp -51.35 -23.25 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -38.92 36.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.854 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -96.22 -67.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 82.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.6 p30 -74.34 61.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.859 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -81.96 -13.74 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.841 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -74.56 -20.2 60.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.923 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.648 ' N ' HD23 ' A' ' 16' ' ' LEU . 6.5 tt0 -52.99 -31.44 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.926 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -82.71 -34.87 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.867 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.88 -45.53 89.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 54.03 111.075 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.806 0.336 . . . . 73.22 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' ILE . 72.1 t-105 -70.44 -18.41 63.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 72.05 110.921 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HA ' HG22 ' A' ' 6' ' ' ILE . 8.7 ptmt -60.74 -36.1 78.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.932 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -28.29 55.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.91 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -86.36 -20.33 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.852 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.776 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.3 -36.42 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.068 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.34 -42.71 61.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.862 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.79 -32.44 40.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -60.28 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.917 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.21 -21.1 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.959 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -36.61 48.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.866 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -75.2 -102.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.879 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 -22.41 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.97 59.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 64.24 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 58.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.914 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.776 HD21 HG13 ' A' ' 6' ' ' ILE . 1.9 pp -50.58 -32.67 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.897 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -53.4 -40.94 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 75.43 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.25 -26.34 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -85.54 -63.86 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 34.44 111.103 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 73.52 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.582 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -69.62 -18.4 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 6' ' ' ILE . 3.2 pttp -60.77 -36.83 79.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.904 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -27.95 56.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.98 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.762 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.84 -36.19 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.16 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -42.66 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.77 -32.44 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 75.05 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -60.27 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.933 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.682 HD23 HG12 ' A' ' 6' ' ' ILE . 3.5 pp -56.15 -21.21 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.88 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -77.75 -36.89 50.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -74.92 -102.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 61.21 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.68 -22.38 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -76.95 59.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 65.54 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 58.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 63.13 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HG13 ' A' ' 6' ' ' ILE . 1.8 pp -50.85 -31.05 16.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 64.14 110.9 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 10' ' ' LEU . 12.1 pt20 -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.916 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.83 -27.88 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.25 110.851 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -85.55 -61.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 62.51 110.918 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.11 111.09 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.772 0.32 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.586 ' O ' HG22 ' A' ' 6' ' ' ILE . 71.8 t-105 -68.82 -18.39 64.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 62.11 110.881 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.548 ' HA ' HG22 ' A' ' 6' ' ' ILE . 1.5 pttt -60.79 -36.52 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 64.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -76.47 -28.07 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.04 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -86.48 -20.57 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.863 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.752 HG13 HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.15 -36.12 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.125 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -51.46 -43.03 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 54.32 110.866 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.78 -33.92 40.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 53.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -59.7 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.928 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.679 HD23 HG12 ' A' ' 6' ' ' ILE . 3.4 pp -57.46 -19.98 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -79.09 -36.33 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.878 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -75.24 -102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -122.74 -22.77 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.842 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 59.65 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 54.52 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -76.16 59.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.874 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 6' ' ' ILE . 2.9 pp -51.38 -29.37 15.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.967 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.06 -31.87 20.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.948 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -31.13 22.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.05 110.864 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.43 -30.52 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.113 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 73.31 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.654 ' O ' HG22 ' A' ' 6' ' ' ILE . 29.3 t-105 -64.61 -24.81 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.975 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 6' ' ' ILE . 21.4 ptmt -60.82 -36.53 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.899 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -76.56 -27.27 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 71.33 110.937 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -17.5 33.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.861 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.719 HG13 HD23 ' A' ' 10' ' ' LEU . 2.4 tp -105.07 -32.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 65.42 111.15 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -50.36 -44.67 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 55.14 110.822 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.7 -35.49 44.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.853 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.61 -59.34 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.95 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.719 HD23 HG13 ' A' ' 6' ' ' ILE . 4.0 pp -51.32 -27.02 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -69.5 -41.82 75.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -71.15 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -123.64 -19.69 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.34 57.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.861 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.13 58.72 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.893 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -51.1 -29.24 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 64.15 110.914 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.54 -52.27 48.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 70.43 110.939 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -76.5 -25.78 54.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.823 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.56 11.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 24.42 111.106 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.755 0.312 . . . . 61.12 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' ILE . 69.4 t-105 -83.73 -18.49 37.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.911 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 6' ' ' ILE . 16.0 ptmt -61.08 -36.31 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -76.5 -27.98 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 53.23 110.89 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -21.03 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.834 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -98.39 -36.83 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.131 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -52.06 -40.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 61.4 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.39 -34.7 36.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.887 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.698 HD23 HG12 ' A' ' 6' ' ' ILE . 3.0 pp -57.55 -20.25 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.943 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -34.9 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.3 110.891 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -51.34 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -122.82 -117.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.19 76.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -85.39 -82.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.24 110.87 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 6' ' ' ILE . 9.7 mt -88.15 -35.91 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 55.21 110.915 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -33.86 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -40.48 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.833 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.69 -60.98 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.095 179.961 . . . . . . . . 0 0 . 1 stop_ save_