data_2nd6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2nd6 _Structure_validation_residue.Date_analyzed 2017-03-17 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 full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 75.22 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -117.81 -14.3 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -57.22 -28.26 62.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.42 110.914 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -12.77 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.45 111.107 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -109.21 -17.74 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.907 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 3' ' ' GLN . 1.3 pp -94.58 -20.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.152 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -3.44 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.902 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.46 -39.54 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.827 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -57.58 -31.78 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.917 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -9.81 58.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.876 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -113.83 -16.75 12.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -120.16 13.99 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.906 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -55.77 -28.34 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -65.57 -12.3 51.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.856 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.2 m0 -62.25 -32.8 73.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 74.53 110.936 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -25.82 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 65.13 110.92 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.5 110.879 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 65.31 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -117.89 -14.24 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 73.05 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.41 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.6 mm100 -57.23 -28.39 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.942 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -12.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.136 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -109.31 -17.82 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.886 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 3' ' ' GLN . 1.3 pp -94.48 -20.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 75.23 111.146 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -4.0 5.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.893 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.57 -37.54 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 73.25 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -33.18 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.02 -10.19 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 60.01 110.862 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -109.16 -19.98 13.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.852 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -116.55 9.61 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.885 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -27.34 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -62.34 -15.06 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.5 110.866 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.62 -32.7 52.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -25.98 11.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.891 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.923 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.808 0.337 . . . . 71.44 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.99 -14.38 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 72.51 110.865 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.41 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 11.7 mm-40 -57.31 -28.32 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -12.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.096 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -109.26 -17.88 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.898 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 3' ' ' GLN . 1.3 pp -94.39 -20.86 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.147 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -4.04 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.913 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.52 -37.49 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 63.12 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -33.07 67.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -7.65 55.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -113.53 -17.96 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -120.26 12.42 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.43 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 61.02 110.863 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -60.66 -17.15 45.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -53.8 -32.95 54.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.888 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -24.86 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.89 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.836 0.35 . . . . 73.31 110.914 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -116.15 -14.41 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.859 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.31 -27.87 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.943 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.85 -9.0 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.32 111.169 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -20.73 12.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.93 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.39 -25.41 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 74.42 111.136 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.02 2.2 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -35.99 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 71.11 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -57.58 -33.48 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.91 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.19 -7.18 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.79 -17.46 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -120.27 12.81 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.0 ptm -55.53 -28.12 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -12.7 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 75.3 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -60.18 -32.71 71.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 -25.98 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.01 110.946 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.815 0.341 . . . . 64.22 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -115.47 -13.73 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.902 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -58.08 -28.39 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.89 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -9.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.15 111.096 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -110.46 -19.97 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.936 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 pp -93.94 -22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.114 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -5.48 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.931 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.85 -39.43 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.874 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -57.63 -31.97 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -109.13 -19.75 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -116.45 10.39 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ptm -54.63 -27.48 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 63.02 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -14.36 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -55.7 -32.82 63.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 74.33 110.909 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 -26.08 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.868 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.931 179.845 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.363 . . . . 72.54 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -116.98 -14.38 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.854 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -58.22 -27.93 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.912 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -8.92 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 75.31 111.139 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -110.57 -20.74 12.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.36 -25.48 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 2.14 6.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.92 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.32 -35.96 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 75.5 110.871 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -57.65 -33.44 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.884 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -75.35 -7.17 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.91 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -114.68 -17.46 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.866 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.24 12.61 11.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -24.78 34.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.894 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -66.61 -11.12 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.909 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -6.96 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 73.3 110.925 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.15 110.895 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.858 0.361 . . . . 53.21 110.874 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -116.41 -14.32 10.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.859 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.29 -27.92 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.8 -9.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.142 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -110.55 -20.62 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.926 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.5 -25.34 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.126 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.9 2.06 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.953 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.31 -36.0 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.869 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -57.56 -33.48 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -7.12 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.928 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.65 -17.51 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.51 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -120.23 12.6 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.848 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -24.77 34.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.44 110.871 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -11.08 51.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.924 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.91 -30.28 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -7.02 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.922 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.905 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.802 0.334 . . . . 74.51 110.851 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.14 -14.31 10.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.908 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.32 -27.84 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -79.9 -9.04 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 75.14 111.125 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -110.51 -20.72 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.895 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.38 -25.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.44 111.094 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.06 2.25 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.923 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.3 -36.18 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.02 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -57.32 -33.59 67.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.894 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.0 -10.51 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.911 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.31 -20.39 13.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.22 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -115.97 8.94 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.42 110.853 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptm -54.05 -27.45 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.896 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -61.91 -15.37 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.923 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 22.53 11.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.948 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.895 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 70.51 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -114.48 -8.4 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.82 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -56.4 -29.03 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.02 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -12.46 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -109.22 -17.98 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.91 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.3 -21.23 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.126 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -3.39 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.91 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.82 -38.11 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 75.3 110.845 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.35 -33.0 67.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 73.2 110.937 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -7.81 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -114.25 -17.43 11.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.847 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -120.19 12.78 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.859 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 ptm -55.59 -24.74 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 55.15 110.84 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.15 51.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.851 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.78 -30.44 65.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -7.36 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 71.11 110.894 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.45 110.92 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.789 0.328 . . . . 73.41 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -115.82 -13.59 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 70.44 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -58.08 -28.45 64.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -9.11 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.164 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.6 -19.97 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 70.4 110.881 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 pp -94.0 -22.19 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 62.34 111.15 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -5.11 4.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 -39.19 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.879 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -57.65 -31.98 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.44 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.28 -11.02 59.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.913 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -109.34 -19.68 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.44 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -116.17 10.17 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -24.9 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.51 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -11.4 48.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -57.72 -30.51 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.943 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -7.93 52.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.938 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 72.5 110.934 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.774 0.321 . . . . 73.13 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -113.11 -8.51 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.867 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -57.56 -27.12 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 73.25 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -8.81 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.151 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -110.1 -20.76 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 62.5 110.912 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.52 -24.93 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.087 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 1.14 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -36.21 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.37 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.871 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.34 -7.37 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -114.47 -17.52 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.55 110.894 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -120.27 12.82 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.912 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -24.73 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -66.41 -11.29 50.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -57.67 -30.62 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.35 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -8.39 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.53 110.84 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 tptt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.03 110.926 179.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.788 0.328 . . . . 63.43 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -117.2 -14.15 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.888 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.21 -27.93 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -9.05 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 65.43 111.131 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -110.46 -20.82 12.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.24 110.914 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pp -91.83 -25.17 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 65.21 111.162 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -3.04 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.917 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 -30.6 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.73 -27.02 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 71.45 110.853 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 -7.02 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.877 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -117.59 -15.79 10.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.876 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -120.4 13.56 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.817 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.4 ptp -54.34 -27.32 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.12 -16.79 48.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.905 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -62.1 -35.78 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.908 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -29.47 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.94 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 pttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.893 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.341 . . . . 73.3 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -116.02 -14.17 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.878 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -58.25 -27.89 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.97 -9.01 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.22 111.179 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.41 -20.76 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.883 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pp -91.92 -25.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.02 111.103 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -4.34 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.916 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.73 -27.34 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -76.96 -6.88 54.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.32 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -117.76 -15.64 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.55 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.26 13.14 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.928 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -27.48 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.849 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -60.38 -17.35 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.35 110.929 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -52.38 -47.91 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.957 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -41.21 76.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.855 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 75.31 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -113.04 -13.89 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.876 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -58.03 -28.39 64.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.63 -9.46 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 73.45 111.136 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.9 -20.41 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 74.04 110.891 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 pp -93.8 -22.27 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.163 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -8.45 3.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.905 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -34.89 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -57.67 -27.2 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 70.43 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.31 -7.55 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.3 -16.41 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.844 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -120.24 13.96 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.843 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -28.44 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -12.29 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.14 110.895 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -62.32 -28.36 69.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -25.96 10.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 75.32 110.912 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.917 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 74.35 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.4 -13.94 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.907 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -58.24 -28.07 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -8.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.148 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -110.55 -20.33 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.871 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pp -93.0 -24.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.113 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -2.68 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.86 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.08 -38.35 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 75.11 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.82 -31.33 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.88 -10.45 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.884 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.45 -16.45 12.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.844 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -120.16 13.94 12.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.888 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 ptp -55.79 -28.42 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.845 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -12.43 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.899 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -62.52 -30.34 71.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 22.51 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.867 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 75.31 110.9 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.829 0.347 . . . . 72.53 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -117.74 -14.27 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 32.3 mt-30 -57.14 -28.35 62.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.55 110.893 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -12.89 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 75.33 111.142 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -109.06 -17.72 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 72.1 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 3' ' ' GLN . 1.3 pp -95.28 -19.7 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.096 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -4.82 4.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.91 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.53 -41.21 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.82 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.33 -31.58 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.94 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -12.03 60.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.841 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -109.39 -19.24 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -115.94 10.86 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.71 -22.72 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.817 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.19 -6.39 42.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 72.52 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -56.5 -29.46 61.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.904 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -13.07 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.53 110.928 179.837 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 63.14 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -115.66 -14.12 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.845 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.31 -27.81 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -9.03 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.105 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -110.56 -20.82 12.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.902 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pp -91.61 -25.41 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.137 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -3.31 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.945 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.12 -29.46 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 75.22 110.883 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.43 -27.8 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 72.3 110.874 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.41 -6.92 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.905 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -118.07 -15.73 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.55 14.43 11.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 64.14 110.853 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptm -57.62 -21.62 40.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.889 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -2.79 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 64.54 110.855 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -54.81 -34.6 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -17.82 55.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.885 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.03 110.91 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.79 0.328 . . . . 74.23 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -116.36 -14.56 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.856 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -58.23 -27.91 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.935 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -9.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.143 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -20.95 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 72.01 110.91 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.52 -25.86 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.54 111.134 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 5.57 4.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.912 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.15 -40.76 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -62.11 -26.45 68.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.929 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -74.95 -9.0 58.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 64.25 110.826 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 mtp85 -114.43 -16.8 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.818 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -120.29 13.87 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 71.44 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -28.34 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -12.2 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.894 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -61.82 -32.63 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.937 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -26.05 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.919 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.898 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.83 0.348 . . . . 72.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -117.15 -14.43 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.01 110.868 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.31 -27.79 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.921 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -9.04 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.12 111.126 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -110.49 -20.71 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.917 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.37 -25.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.21 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 2.38 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.36 -36.06 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.892 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -33.62 67.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.922 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.906 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.37 -20.15 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.89 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -116.29 9.04 14.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.897 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.47 -25.1 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -63.87 -13.37 44.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 53.52 110.913 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -53.55 -34.47 58.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.934 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -22.64 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.891 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.914 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.775 0.321 . . . . 74.21 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -116.05 -13.91 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.09 -28.3 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.02 -9.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 55.31 111.126 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.9 -20.43 12.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.904 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pp -93.4 -23.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.55 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -7.94 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.96 -39.4 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -57.86 -30.11 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.884 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.4 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.43 -16.34 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.834 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.13 13.83 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.881 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ptm -55.34 -25.1 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 60.3 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -65.23 -12.98 57.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.872 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -56.75 -30.54 63.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 74.13 110.912 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -10.21 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.912 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.897 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 75.22 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.3 ttt-85 -117.81 -14.3 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 60.43 110.864 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 6.4 mm-40 -57.22 -28.26 62.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.914 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -73.12 -12.77 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 62.13 111.107 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -109.21 -17.74 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.907 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.58 -20.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.152 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -3.44 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.902 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.46 -39.54 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.827 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -57.58 -31.78 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -9.81 58.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.876 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -113.83 -16.75 12.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 61.22 110.872 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -120.16 13.99 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.906 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -55.77 -28.34 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -65.57 -12.3 51.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.856 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.2 m0 -62.25 -32.8 73.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 74.53 110.936 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -25.82 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.92 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.879 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 65.31 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' ILE . 5.6 ttt180 -117.89 -14.24 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 62.41 110.891 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.6 mm100 -57.23 -28.39 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.942 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -74.37 -12.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.136 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -109.31 -17.82 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.886 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.48 -20.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.146 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -4.0 5.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.893 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.57 -37.54 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 73.25 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -33.18 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.15 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.02 -10.19 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 54.1 110.862 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -109.16 -19.98 13.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 53.52 110.852 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -116.55 9.61 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.44 110.885 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -27.34 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -62.34 -15.06 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.5 110.866 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.62 -32.7 52.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -25.98 11.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 62.21 110.891 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.923 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.808 0.337 . . . . 71.44 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -117.99 -14.38 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 63.15 110.865 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 11.7 mm-40 -57.31 -28.32 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -74.42 -12.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.096 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -109.26 -17.88 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.898 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.696 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.39 -20.86 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.147 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -4.04 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.913 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.52 -37.49 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 63.12 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -33.07 67.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -7.65 55.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -113.53 -17.96 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.31 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -120.26 12.42 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.43 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 40.31 110.863 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -60.66 -17.15 45.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -53.8 -32.95 54.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.888 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -24.86 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 61.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.465 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.836 0.35 . . . . 73.05 110.914 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.585 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.0 ttt180 -116.15 -14.41 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.859 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.31 -27.87 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.943 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.85 -9.0 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 60.1 111.169 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.609 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -110.53 -20.73 12.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 70.13 110.93 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.39 -25.41 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.136 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.02 2.2 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -35.99 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 61.22 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -57.58 -33.48 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.91 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.19 -7.18 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.79 -17.46 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -120.27 12.81 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.0 ptm -55.53 -28.12 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -12.7 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -60.18 -32.71 71.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 -25.98 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 43.14 110.946 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.437 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.815 0.341 . . . . 64.22 110.858 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.1 ttp180 -115.47 -13.73 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.902 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -58.08 -28.39 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.89 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -77.54 -9.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.15 111.096 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 4' ' ' ILE . 13.7 mmtt -110.46 -19.97 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.936 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.7 pp -93.94 -22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.41 111.114 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -5.48 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.931 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.85 -39.43 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 54.34 110.874 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -57.63 -31.97 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 62.34 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -109.13 -19.75 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -116.45 10.39 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ptm -54.63 -27.48 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 52.51 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -14.36 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -55.7 -32.82 63.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 74.33 110.909 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 -26.08 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.868 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.931 179.845 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 4' ' ' ILE . 3.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.363 . . . . 72.54 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.0 ttt180 -116.98 -14.38 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -58.22 -27.93 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.912 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.598 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.93 -8.92 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 44.22 111.139 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.2 mmtm -110.57 -20.74 12.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.877 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.36 -25.48 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 51.44 111.125 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 2.14 6.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.92 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.32 -35.96 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 51.4 110.871 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -57.65 -33.44 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.884 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -75.35 -7.17 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.91 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -114.68 -17.46 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.01 110.866 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.24 12.61 11.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 70.22 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -24.78 34.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.894 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -66.61 -11.12 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.909 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -6.96 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 73.3 110.925 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.15 110.895 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.455 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.858 0.361 . . . . 45.44 110.874 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.588 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.5 ttm180 -116.41 -14.32 10.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.859 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.29 -27.92 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.8 -9.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.142 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 4' ' ' ILE . 13.8 mmtt -110.55 -20.62 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 61.42 110.926 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.5 -25.34 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 54.05 111.126 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.9 2.06 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.953 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.31 -36.0 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.869 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -33.48 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.914 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -7.12 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.928 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.65 -17.51 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -120.23 12.6 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 62.13 110.848 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -24.77 34.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.44 110.871 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -11.08 51.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.924 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.91 -30.28 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -7.02 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 62.35 110.922 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.905 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.802 0.334 . . . . 74.51 110.851 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -117.14 -14.31 10.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.908 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.32 -27.84 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.602 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -79.9 -9.04 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 75.11 111.125 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.602 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.9 mmtt -110.51 -20.72 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.31 110.895 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.38 -25.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 44.54 111.094 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.06 2.25 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.923 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.3 -36.18 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.02 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -57.32 -33.59 67.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.894 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.0 -10.51 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.911 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.31 -20.39 13.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.22 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -115.97 8.94 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.42 110.853 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptm -54.05 -27.45 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.896 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -61.91 -15.37 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.923 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 22.53 11.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.948 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.895 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 63.41 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 6' ' ' ILE . 25.1 ttm180 -114.48 -8.4 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.82 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.409 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 5.6 mm100 -56.4 -29.03 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.02 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -72.33 -12.46 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 65.34 111.133 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -109.22 -17.98 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 54.34 110.91 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.3 -21.23 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.126 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -3.39 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.91 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.82 -38.11 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 71.12 110.845 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.35 -33.0 67.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.937 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -7.81 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -114.25 -17.43 11.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.847 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -120.19 12.78 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.859 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 ptm -55.59 -24.74 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 55.03 110.84 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.15 51.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 63.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.78 -30.44 65.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -7.36 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 71.11 110.894 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.92 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.789 0.328 . . . . 73.41 110.873 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' ILE . 4.7 ttt180 -115.82 -13.59 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 55.53 110.862 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -58.08 -28.45 64.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -77.37 -9.11 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.164 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.604 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -110.6 -19.97 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 65.42 110.881 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.7 pp -94.0 -22.19 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.15 111.15 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -5.11 4.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 -39.19 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.879 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -57.65 -31.98 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.44 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.28 -11.02 59.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.13 110.913 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -109.34 -19.68 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.35 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -116.17 10.17 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 70.41 110.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -24.9 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.51 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -11.4 48.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -57.72 -30.51 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.943 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -7.93 52.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.938 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 53.52 110.934 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.774 0.321 . . . . 64.04 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' HG2' HG23 ' A' ' 6' ' ' ILE . 5.3 ttt85 -113.11 -8.51 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.867 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -57.56 -27.12 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 70.42 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.01 -8.81 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.151 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.597 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.6 mmtt -110.1 -20.76 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 42.4 110.912 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.506 HG23 ' HG2' ' A' ' 2' ' ' ARG . 1.9 pp -92.52 -24.93 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.4 111.087 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 1.14 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -36.21 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.37 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 65.43 110.871 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.34 -7.37 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.917 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -114.47 -17.52 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.55 110.894 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -120.27 12.82 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.912 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -24.73 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 45.24 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -66.41 -11.29 50.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -57.67 -30.62 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.35 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -8.39 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 73.3 110.84 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 tptt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.926 179.842 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' HD11 ' A' ' 4' ' ' ILE . 2.2 m-20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.788 0.328 . . . . 63.43 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.9 ttm180 -117.2 -14.15 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.32 110.888 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.21 -27.93 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.04 -9.05 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 53.03 111.131 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.0 mmmt -110.46 -20.82 12.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 71.52 110.914 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -91.83 -25.17 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 63.4 111.162 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -3.04 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.917 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 -30.6 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.73 -27.02 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 64.23 110.853 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 -7.02 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.877 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -117.59 -15.79 10.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.876 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -120.4 13.56 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.817 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.4 ptp -54.34 -27.32 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.12 -16.79 48.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 71.52 110.905 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -62.1 -35.78 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.908 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -29.47 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.94 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 pttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 60.35 110.893 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.341 . . . . 73.3 110.883 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 6' ' ' ILE . 2.2 ttp180 -116.02 -14.17 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -58.25 -27.89 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.612 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -78.97 -9.01 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 64.14 111.179 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.612 ' N ' HD12 ' A' ' 4' ' ' ILE . 16.0 mmtt -110.41 -20.76 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.883 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -91.92 -25.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 53.45 111.103 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -4.34 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.916 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.34 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.73 -27.34 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -76.96 -6.88 54.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.32 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -117.76 -15.64 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.55 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.26 13.14 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.928 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -27.48 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.849 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -60.38 -17.35 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.35 110.929 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -52.38 -47.91 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.957 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -41.21 76.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 50.13 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.855 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 4' ' ' ILE . 10.4 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 75.31 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 6' ' ' ILE . 5.8 ttt180 -113.04 -13.89 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.876 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -58.03 -28.39 64.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -77.63 -9.46 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 62.01 111.136 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.62 ' N ' HD12 ' A' ' 4' ' ' ILE . 7.2 mmtt -109.9 -20.41 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 71.24 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.7 pp -93.8 -22.27 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 45.34 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -8.45 3.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.905 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -34.89 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 53.14 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -57.67 -27.2 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 65.51 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.31 -7.55 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.3 -16.41 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.844 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -120.24 13.96 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 63.54 110.843 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -28.44 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -12.29 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 64.41 110.895 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -62.32 -28.36 69.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -25.96 10.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.01 110.912 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.917 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.459 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 74.35 110.861 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -115.4 -13.94 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.907 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -58.24 -28.07 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -78.85 -8.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.148 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mmmt -110.55 -20.33 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.871 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -93.0 -24.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 53.03 111.113 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -2.68 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.86 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.08 -38.35 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -57.82 -31.33 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.88 -10.45 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.884 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.45 -16.45 12.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.844 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -120.16 13.94 12.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.888 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 ptp -55.79 -28.42 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.845 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -12.43 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.899 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -62.52 -30.34 71.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 22.51 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 64.02 110.867 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 75.31 110.9 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.829 0.347 . . . . 64.02 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.652 ' O ' HG23 ' A' ' 6' ' ' ILE . 6.6 ttt180 -117.74 -14.27 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.841 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 32.3 mt-30 -57.14 -28.35 62.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 55.22 110.893 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.414 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -73.02 -12.89 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.12 111.142 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -109.06 -17.72 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 72.1 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -95.28 -19.7 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.096 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -4.82 4.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.91 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.53 -41.21 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.82 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.33 -31.58 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.94 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -12.03 60.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.841 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -109.39 -19.24 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -115.94 10.86 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.71 -22.72 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.817 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.19 -6.39 42.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 51.3 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -56.5 -29.46 61.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.904 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -13.07 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 51.4 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 73.24 110.928 179.837 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.47 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 63.14 110.862 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.2 ttt-85 -115.66 -14.12 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 70.34 110.845 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.31 -27.81 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.24 -9.03 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.105 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mmtt -110.56 -20.82 12.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.902 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -91.61 -25.41 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 54.13 111.137 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -3.31 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 63.41 110.945 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.12 -29.46 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 72.21 110.883 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.494 ' OE1' HG22 ' A' ' 6' ' ' ILE . 4.5 pt20 -72.43 -27.8 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 72.3 110.874 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.41 -6.92 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.03 110.905 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -118.07 -15.73 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 62.2 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.55 14.43 11.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.853 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptm -57.62 -21.62 40.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.889 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -2.79 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 64.54 110.855 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -54.81 -34.6 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -17.82 55.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.885 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 44.54 110.91 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.474 ' O ' HD11 ' A' ' 4' ' ' ILE . 6.7 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.79 0.328 . . . . 65.54 110.864 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 6' ' ' ILE . 5.0 tpt180 -116.36 -14.56 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.856 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -58.23 -27.91 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 60.23 110.935 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.83 -9.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.143 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.613 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -110.27 -20.95 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 72.01 110.91 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.52 -25.86 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 64.32 111.134 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 5.57 4.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.912 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.15 -40.76 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -62.11 -26.45 68.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.929 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -74.95 -9.0 58.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.826 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 mtp85 -114.43 -16.8 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.818 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -120.29 13.87 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 71.33 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -28.34 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -12.2 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.894 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -61.82 -32.63 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.937 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -26.05 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.919 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.898 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.83 0.348 . . . . 72.0 110.897 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.6 ttm180 -117.15 -14.43 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 44.51 110.868 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.31 -27.79 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.921 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -79.98 -9.04 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.12 111.126 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.7 mmtt -110.49 -20.71 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 40.1 110.917 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.37 -25.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.21 111.113 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 2.38 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.36 -36.06 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.892 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -33.62 67.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.922 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.906 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.37 -20.15 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.89 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -116.29 9.04 14.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.897 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.47 -25.1 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -63.87 -13.37 44.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 51.22 110.913 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -53.55 -34.47 58.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.934 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -22.64 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 71.33 110.891 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 45.02 110.914 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.775 0.321 . . . . 74.21 110.881 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' ILE . 2.7 ttm180 -116.05 -13.91 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 60.12 110.889 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.09 -28.3 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -78.02 -9.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 55.31 111.126 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -109.9 -20.43 12.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.904 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -93.4 -23.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.55 111.14 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -7.94 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.96 -39.4 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -57.86 -30.11 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.884 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 61.45 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.43 -16.34 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.834 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.13 13.83 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.881 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ptm -55.34 -25.1 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 52.53 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -65.23 -12.98 57.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.872 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -56.75 -30.54 63.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 72.4 110.912 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -10.21 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.53 110.912 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.897 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 75.22 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.3 ttt-85 -117.81 -14.3 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 60.43 110.864 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -57.22 -28.26 62.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.914 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -73.12 -12.77 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 62.13 111.107 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -109.21 -17.74 13.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.907 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.58 -20.5 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.152 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -3.44 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.902 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.46 -39.54 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.827 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -57.58 -31.78 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -9.81 58.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.876 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -113.83 -16.75 12.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 61.22 110.872 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -120.16 13.99 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.906 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -55.77 -28.34 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -65.57 -12.3 51.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.856 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.2 m0 -62.25 -32.8 73.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 74.53 110.936 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -25.82 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.92 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.879 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 65.31 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' ILE . 5.6 ttt180 -117.89 -14.24 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 62.41 110.891 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.6 mm100 -57.23 -28.39 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.942 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -74.37 -12.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.136 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -109.31 -17.82 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.886 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.48 -20.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.146 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -4.0 5.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.893 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.57 -37.54 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 73.25 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -33.18 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.15 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.02 -10.19 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 54.1 110.862 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -109.16 -19.98 13.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 53.52 110.852 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -116.55 9.61 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.44 110.885 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -27.34 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -62.34 -15.06 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.5 110.866 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.62 -32.7 52.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 74.23 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -25.98 11.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 62.21 110.891 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.923 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.808 0.337 . . . . 71.44 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -117.99 -14.38 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 63.15 110.865 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 11.7 mm-40 -57.31 -28.32 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -74.42 -12.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.096 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -109.26 -17.88 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.898 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.696 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.39 -20.86 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.147 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -4.04 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.913 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.52 -37.49 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 63.12 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -33.07 67.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -7.65 55.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.908 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -113.53 -17.96 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.31 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -120.26 12.42 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.43 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 40.31 110.863 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -60.66 -17.15 45.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -53.8 -32.95 54.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.888 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -24.86 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 61.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.465 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.836 0.35 . . . . 73.05 110.914 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.585 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.0 ttt180 -116.15 -14.41 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.859 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.31 -27.87 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.943 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.85 -9.0 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 60.1 111.169 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.609 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -110.53 -20.73 12.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 70.13 110.93 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.39 -25.41 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.136 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.02 2.2 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -35.99 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 61.22 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -57.58 -33.48 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.91 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.19 -7.18 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.79 -17.46 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -120.27 12.81 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.0 ptm -55.53 -28.12 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -12.7 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -60.18 -32.71 71.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 -25.98 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 43.14 110.946 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.437 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.815 0.341 . . . . 64.22 110.858 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.1 ttp180 -115.47 -13.73 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.902 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -58.08 -28.39 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.89 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -77.54 -9.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.15 111.096 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 4' ' ' ILE . 13.7 mmtt -110.46 -19.97 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.936 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.7 pp -93.94 -22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.41 111.114 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -5.48 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.931 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.85 -39.43 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 54.34 110.874 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -57.63 -31.97 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.917 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 62.34 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -109.13 -19.75 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -116.45 10.39 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ptm -54.63 -27.48 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 52.51 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -14.36 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -55.7 -32.82 63.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 74.33 110.909 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 -26.08 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.868 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.931 179.845 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 4' ' ' ILE . 3.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.363 . . . . 72.54 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.0 ttt180 -116.98 -14.38 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -58.22 -27.93 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.912 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.598 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.93 -8.92 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 44.22 111.139 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.2 mmtm -110.57 -20.74 12.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.877 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.36 -25.48 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 51.44 111.125 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 2.14 6.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.92 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.32 -35.96 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 51.4 110.871 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -57.65 -33.44 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.884 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -75.35 -7.17 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.91 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -114.68 -17.46 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.01 110.866 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.24 12.61 11.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 70.22 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -24.78 34.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.894 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -66.61 -11.12 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.909 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.85 -30.23 65.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -6.96 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 73.3 110.925 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.15 110.895 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.455 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.858 0.361 . . . . 45.44 110.874 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.588 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.5 ttm180 -116.41 -14.32 10.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.859 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.29 -27.92 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.8 -9.06 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.142 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 4' ' ' ILE . 13.8 mmtt -110.55 -20.62 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 61.42 110.926 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.5 -25.34 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 54.05 111.126 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.9 2.06 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.953 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.31 -36.0 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.869 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -57.56 -33.48 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -7.12 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.928 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.65 -17.51 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -120.23 12.6 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 62.13 110.848 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -24.77 34.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.44 110.871 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -11.08 51.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.924 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.91 -30.28 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -7.02 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 62.35 110.922 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.905 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.802 0.334 . . . . 74.51 110.851 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -117.14 -14.31 10.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.908 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.32 -27.84 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.602 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -79.9 -9.04 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 75.11 111.125 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.602 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.9 mmtt -110.51 -20.72 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.31 110.895 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.38 -25.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 44.54 111.094 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.06 2.25 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.923 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.3 -36.18 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.02 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -57.32 -33.59 67.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.894 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.0 -10.51 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.911 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.31 -20.39 13.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.22 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -115.97 8.94 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.42 110.853 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptm -54.05 -27.45 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.896 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -61.91 -15.37 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.923 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 22.53 11.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.948 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.895 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 63.41 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 6' ' ' ILE . 25.1 ttm180 -114.48 -8.4 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.82 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.409 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 5.6 mm100 -56.4 -29.03 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.02 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -72.33 -12.46 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 65.34 111.133 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -109.22 -17.98 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 54.34 110.91 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -94.3 -21.23 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.126 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -3.39 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.91 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.82 -38.11 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 71.12 110.845 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.35 -33.0 67.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.937 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -7.81 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -114.25 -17.43 11.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.847 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -120.19 12.78 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.859 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 ptm -55.59 -24.74 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 55.03 110.84 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.15 51.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 63.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -57.78 -30.44 65.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -7.36 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 71.11 110.894 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.92 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.789 0.328 . . . . 73.41 110.873 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' ILE . 4.7 ttt180 -115.82 -13.59 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 55.53 110.862 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -58.08 -28.45 64.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -77.37 -9.11 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.164 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.604 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -110.6 -19.97 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 65.42 110.881 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.7 pp -94.0 -22.19 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.15 111.15 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -5.11 4.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 -39.19 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.879 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -57.65 -31.98 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.44 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.28 -11.02 59.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.13 110.913 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -109.34 -19.68 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.35 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -116.17 10.17 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 70.41 110.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -24.9 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.51 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -11.4 48.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -57.72 -30.51 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.943 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -7.93 52.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.938 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 53.52 110.934 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.774 0.321 . . . . 64.04 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' HG2' HG23 ' A' ' 6' ' ' ILE . 5.3 ttt85 -113.11 -8.51 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.867 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -57.56 -27.12 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 70.42 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.01 -8.81 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.151 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.597 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.6 mmtt -110.1 -20.76 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 42.4 110.912 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.506 HG23 ' HG2' ' A' ' 2' ' ' ARG . 1.9 pp -92.52 -24.93 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.4 111.087 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 1.14 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -36.21 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.37 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 65.43 110.871 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.34 -7.37 53.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.917 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -114.47 -17.52 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.55 110.894 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -120.27 12.82 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.912 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -24.73 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 45.24 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -66.41 -11.29 50.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -57.67 -30.62 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.35 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -8.39 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 73.3 110.84 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 tptt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.926 179.842 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' HD11 ' A' ' 4' ' ' ILE . 2.2 m-20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.788 0.328 . . . . 63.43 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.9 ttm180 -117.2 -14.15 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.32 110.888 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -58.21 -27.93 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.04 -9.05 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 53.03 111.131 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.0 mmmt -110.46 -20.82 12.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 71.52 110.914 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -91.83 -25.17 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 63.4 111.162 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -3.04 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.917 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 -30.6 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.73 -27.02 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 64.23 110.853 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 -7.02 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.877 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -117.59 -15.79 10.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.876 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -120.4 13.56 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.817 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.4 ptp -54.34 -27.32 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.12 -16.79 48.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 71.52 110.905 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -62.1 -35.78 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.908 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -29.47 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.94 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 pttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 60.35 110.893 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.341 . . . . 73.3 110.883 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 6' ' ' ILE . 2.2 ttp180 -116.02 -14.17 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -58.25 -27.89 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.612 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -78.97 -9.01 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 64.14 111.179 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.612 ' N ' HD12 ' A' ' 4' ' ' ILE . 16.0 mmtt -110.41 -20.76 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.883 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -91.92 -25.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 53.45 111.103 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -4.34 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.916 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.13 -29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.34 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.73 -27.34 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -76.96 -6.88 54.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.32 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -117.76 -15.64 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.55 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.26 13.14 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.928 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -27.48 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.849 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -60.38 -17.35 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.35 110.929 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -52.38 -47.91 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.957 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -41.21 76.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 50.13 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.855 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 4' ' ' ILE . 10.4 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 75.31 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 6' ' ' ILE . 5.8 ttt180 -113.04 -13.89 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.876 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -58.03 -28.39 64.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -77.63 -9.46 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 62.01 111.136 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.62 ' N ' HD12 ' A' ' 4' ' ' ILE . 7.2 mmtt -109.9 -20.41 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 71.24 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.7 pp -93.8 -22.27 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 45.34 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -8.45 3.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.905 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -34.89 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 53.14 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -57.67 -27.2 62.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 65.51 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.31 -7.55 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.3 -16.41 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.844 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -120.24 13.96 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 63.54 110.843 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -28.44 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -12.29 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 64.41 110.895 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -62.32 -28.36 69.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -25.96 10.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.01 110.912 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.917 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.459 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 74.35 110.861 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -115.4 -13.94 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.907 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -58.24 -28.07 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -78.85 -8.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.148 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mmmt -110.55 -20.33 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.871 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -93.0 -24.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 53.03 111.113 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -2.68 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.86 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.08 -38.35 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 74.31 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.82 -31.33 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.88 -10.45 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.884 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.45 -16.45 12.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.844 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -120.16 13.94 12.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.888 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 ptp -55.79 -28.42 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.845 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -12.43 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 74.32 110.899 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -62.52 -30.34 71.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 22.51 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 64.02 110.867 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 75.31 110.9 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.829 0.347 . . . . 64.02 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.652 ' O ' HG23 ' A' ' 6' ' ' ILE . 6.6 ttt180 -117.74 -14.27 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.841 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 32.3 mt-30 -57.14 -28.35 62.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 55.22 110.893 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -73.02 -12.89 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.12 111.142 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -109.06 -17.72 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 72.1 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.3 pp -95.28 -19.7 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.096 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -4.82 4.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.91 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.53 -41.21 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.82 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.33 -31.58 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.94 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -12.03 60.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.841 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -109.39 -19.24 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -115.94 10.86 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.71 -22.72 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.817 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.19 -6.39 42.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 51.3 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -56.5 -29.46 61.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.904 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -13.07 61.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 51.4 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 73.24 110.928 179.837 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.47 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 63.14 110.862 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.2 ttt-85 -115.66 -14.12 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 70.34 110.845 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.31 -27.81 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -79.24 -9.03 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.105 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mmtt -110.56 -20.82 12.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.902 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -91.61 -25.41 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 54.13 111.137 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -3.31 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 63.41 110.945 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.12 -29.46 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 72.21 110.883 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.494 ' OE1' HG22 ' A' ' 6' ' ' ILE . 4.5 pt20 -72.43 -27.8 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 72.3 110.874 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.41 -6.92 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.03 110.905 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -118.07 -15.73 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 62.2 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.55 14.43 11.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.853 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptm -57.62 -21.62 40.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.889 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -2.79 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 64.54 110.855 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -54.81 -34.6 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -17.82 55.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.885 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 44.54 110.91 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.474 ' O ' HD11 ' A' ' 4' ' ' ILE . 6.7 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.79 0.328 . . . . 65.54 110.864 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 6' ' ' ILE . 5.0 tpt180 -116.36 -14.56 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.856 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -58.23 -27.91 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 60.23 110.935 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.83 -9.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.143 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.613 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -110.27 -20.95 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 72.01 110.91 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.52 -25.86 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 64.32 111.134 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 5.57 4.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.912 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -120.15 -40.76 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -62.11 -26.45 68.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.929 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -74.95 -9.0 58.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.826 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 mtp85 -114.43 -16.8 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.818 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -120.29 13.87 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 71.33 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -28.34 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -12.2 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.894 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -61.82 -32.63 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.937 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -26.05 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.919 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.898 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.83 0.348 . . . . 72.0 110.897 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.6 ttm180 -117.15 -14.43 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 44.51 110.868 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.31 -27.79 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.921 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -79.98 -9.04 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.12 111.126 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.7 mmtt -110.49 -20.71 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 40.1 110.917 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.9 pp -92.37 -25.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.21 111.113 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 2.38 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.36 -36.06 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.892 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -33.62 67.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.922 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.906 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.37 -20.15 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.89 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -116.29 9.04 14.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.897 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.47 -25.1 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -63.87 -13.37 44.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 51.22 110.913 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -53.55 -34.47 58.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.934 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -22.64 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 71.33 110.891 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 45.02 110.914 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' O ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.775 0.321 . . . . 74.21 110.881 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' ILE . 2.7 ttm180 -116.05 -13.91 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 60.12 110.889 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.09 -28.3 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -78.02 -9.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 55.31 111.126 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -109.9 -20.43 12.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.904 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 2' ' ' ARG . 1.8 pp -93.4 -23.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.55 111.14 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -7.94 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.96 -39.4 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -57.86 -30.11 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.884 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 61.45 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.43 -16.34 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.834 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.13 13.83 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.881 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ptm -55.34 -25.1 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 52.53 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -65.23 -12.98 57.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.872 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -56.75 -30.54 63.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 72.4 110.912 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -10.21 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.53 110.912 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.897 179.868 . . . . . . . . 1 1 . 1 stop_ save_