data_2nd7_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 2nd7 _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 . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.333 . . . . 64.11 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -88.78 -28.41 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.07 -16.9 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.925 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.0 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.095 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -89.84 -63.27 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.07 -30.27 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 75.2 111.101 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.9 -43.66 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.932 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.29 -10.54 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 73.23 110.859 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.52 -22.09 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.927 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -56.28 -25.06 46.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.906 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -120.0 -2.12 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.21 110.855 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -115.24 36.56 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.5 ptm -52.04 -30.62 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -26.09 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 64.51 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -97.07 31.75 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.921 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -29.88 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.855 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.15 110.919 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 63.22 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.84 -28.33 20.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.03 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.02 -16.97 55.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.894 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.85 -27.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 70.33 111.139 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -89.97 -63.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.886 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.13 -30.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 72.23 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.84 -43.68 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.933 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 -10.45 8.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.55 -22.38 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 65.11 110.902 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -55.88 -25.43 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.916 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.13 -4.94 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 73.44 110.884 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -113.57 37.62 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.876 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -52.09 -31.72 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -26.12 15.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 74.24 110.915 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -95.98 31.77 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.938 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -31.88 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.893 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.889 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 74.25 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.84 -28.43 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 73.52 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.0 -16.91 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.933 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -58.0 -26.96 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 63.11 111.143 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -63.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.879 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.12 -30.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.138 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -43.65 4.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.923 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.29 -10.64 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -21.89 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -56.19 -25.18 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptt85 -118.53 -3.34 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.72 29.81 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.55 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm -53.04 -28.94 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.905 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -34.8 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.854 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -29.57 25.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 75.24 110.914 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 70.44 110.909 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.05 110.902 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.816 0.341 . . . . 64.25 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -88.86 -28.35 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.88 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -16.94 55.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -26.97 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.121 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -90.02 -63.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 75.53 110.878 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.1 -30.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 74.33 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -43.62 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.948 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.47 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.895 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -22.57 26.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 70.13 110.875 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -55.45 -25.88 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.92 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -114.02 -7.43 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.03 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -112.66 38.59 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.837 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -54.29 -29.8 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -100.81 -26.2 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.906 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -95.94 32.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -28.15 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 75.5 110.897 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.915 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.754 0.311 . . . . 74.4 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -88.78 -28.33 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.896 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.08 -16.92 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.31 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.9 -63.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.914 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.98 -30.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.155 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -43.72 3.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 74.01 110.896 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -10.76 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.864 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.03 -21.66 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.9 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -55.82 -25.91 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -113.26 -7.17 13.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.68 25.62 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.23 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.7 ptp -61.62 -32.82 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.09 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.897 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -31.6 63.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.94 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.18 -74.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.3 110.856 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 75.32 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -88.74 -28.41 20.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.864 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.08 -16.89 55.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.914 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.97 -26.94 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.181 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -89.92 -63.2 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 75.14 110.894 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.0 -30.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.21 111.196 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.7 -43.73 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.52 110.941 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.18 -10.82 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -21.55 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -55.86 -25.91 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.24 110.862 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -113.23 -7.3 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.63 23.27 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.869 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.9 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.02 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.937 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -98.88 29.3 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.943 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -50.86 -50.41 56.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.892 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 71.03 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -88.58 -28.49 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 64.44 110.884 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -61.69 -17.31 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.88 -26.95 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 75.42 111.116 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.91 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.917 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pp -46.34 -31.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.167 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -43.7 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.959 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.3 -8.99 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.46 -18.2 32.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 74.45 110.946 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -25.63 62.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.53 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -119.46 -1.55 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.891 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -114.11 26.36 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.901 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.92 -30.2 32.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.899 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -26.18 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 73.5 110.902 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.04 32.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -26.94 15.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 73.21 110.93 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.91 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 73.22 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -87.21 -30.9 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.846 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -21.31 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 72.01 110.94 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.16 -26.64 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.6 -63.38 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.24 110.901 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -47.4 -29.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 74.13 111.117 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -43.59 4.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.58 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.5 -22.12 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 63.13 110.951 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.2 -25.06 45.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -120.02 -2.21 10.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -115.18 36.34 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.882 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.5 ptm -52.47 -29.61 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.826 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -26.09 9.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -71.41 -25.98 62.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.953 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -26.3 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.871 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.858 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.346 . . . . 73.3 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -87.18 -30.92 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.899 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.39 -21.37 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -55.1 -26.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 64.52 111.152 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.63 -63.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 75.24 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -47.49 -29.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.145 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -43.57 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.934 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.3 -10.61 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.56 -22.1 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.907 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.15 -25.18 45.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.909 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -119.99 -2.17 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.86 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -115.25 36.54 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 64.5 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -51.94 -30.75 25.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -25.94 11.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -95.99 32.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.07 42.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.895 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.827 0.346 . . . . 54.52 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.23 -30.91 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.885 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.49 -21.16 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.929 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -55.34 -26.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.4 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -63.42 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.873 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.29 -30.16 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.53 111.138 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -43.47 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.38 -10.09 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -21.24 27.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -56.72 -24.83 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -1.95 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.869 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -116.4 37.03 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -30.17 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 73.2 110.885 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -26.5 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.921 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -96.79 28.28 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.923 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -29.07 60.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.916 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.349 . . . . 74.03 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -30.98 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.858 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -21.26 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.2 -26.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.143 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -63.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.913 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -47.41 -29.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.33 111.147 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -43.63 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 71.24 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.27 -10.63 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -22.62 26.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.49 -25.78 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.88 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -114.42 -7.17 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -112.97 39.28 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.827 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -31.72 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.15 110.857 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -104.63 -26.31 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -96.2 30.75 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 70.11 110.95 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -31.99 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.865 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 63.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -88.77 -28.3 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.872 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.11 -16.88 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.927 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.96 -27.01 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.153 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -89.96 -63.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.51 110.925 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.92 -30.49 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 75.41 111.131 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.59 -43.73 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.944 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -10.47 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.895 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.9 -23.16 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.915 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -54.27 -27.2 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.916 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -107.28 -11.21 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.874 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.94 23.63 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.913 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.63 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 64.53 110.829 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.11 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.87 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -95.73 33.06 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 73.45 110.944 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -29.95 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.2 110.894 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 73.24 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -87.16 -30.9 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -21.18 35.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.34 110.93 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.34 -26.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.142 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -63.41 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 53.41 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -47.33 -30.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.32 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -43.5 4.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.15 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -21.54 27.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -56.35 -25.1 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.928 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -116.05 -5.74 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 75.23 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -112.53 28.7 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 72.35 110.917 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 ptm -52.35 -32.77 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 72.12 110.909 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -26.53 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.885 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.0 26.79 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.921 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -29.21 21.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 75.35 110.92 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.793 0.33 . . . . 75.13 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -87.18 -30.82 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.882 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -57.51 -21.25 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.26 -26.65 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.52 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -90.63 -63.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.881 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -47.31 -30.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.11 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -43.59 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.918 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -10.63 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 75.45 110.902 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.91 -23.1 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 75.12 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.47 -26.93 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -10.63 15.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -108.34 23.96 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 mtp -59.86 -62.25 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.9 58.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.31 110.876 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.31 31.75 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.897 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 -26.13 7.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 75.14 110.918 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 pttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.917 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.771 0.32 . . . . 74.11 110.842 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -28.14 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.87 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.39 -16.63 55.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 pt -58.32 -26.96 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.42 111.166 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -90.09 -63.25 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.934 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.23 -31.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.093 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.93 -43.87 3.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.15 -9.18 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.883 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -18.3 36.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.929 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.63 -29.08 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -84.39 -19.67 33.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.864 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -120.11 30.68 6.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 72.02 110.879 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.23 -31.99 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 65.15 110.86 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -26.75 65.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.3 110.896 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -52.44 -29.94 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.23 110.946 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -31.66 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.881 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 pttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.903 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 74.01 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -88.76 -28.38 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.07 -16.81 54.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.949 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.96 -27.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 73.12 111.148 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 38.3 mmtt -89.68 -63.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.956 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.29 -30.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.44 111.117 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -44.38 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.959 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.9 -11.15 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.82 -19.96 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.911 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -54.97 -30.36 58.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.903 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.29 -23.7 24.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.922 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.16 45.26 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptp -54.88 -31.69 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.81 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.845 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.7 26.04 4.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 73.03 110.934 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.63 74.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.926 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.938 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 74.53 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -87.11 -30.97 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.87 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -21.19 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.937 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.34 -26.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.143 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -90.6 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.89 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -47.34 -30.09 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 74.34 111.098 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.922 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -10.43 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -21.03 27.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.892 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -56.48 -25.17 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -114.23 -6.74 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.87 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.73 25.87 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.889 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -32.97 73.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.865 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -28.68 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.901 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -78.0 -28.32 49.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.919 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -120.92 76.73 1.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 70.43 110.952 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 72.25 110.857 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 73.34 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -28.44 20.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.847 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -62.05 -16.9 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.149 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -89.92 -63.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.929 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -47.1 -30.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 75.22 111.127 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.77 -43.59 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.885 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.26 -10.6 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.832 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -20.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.899 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.65 -24.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -114.71 -6.58 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -17.67 18.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -50.7 -28.91 9.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.851 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -16.4 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.932 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -79.6 -32.79 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -28.08 34.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tttm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.888 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 73.31 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -88.39 -28.22 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.29 -16.67 55.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.909 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.24 -26.89 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.35 111.142 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 6.8 mtpp -90.22 -63.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.869 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -45.91 -31.5 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 63.2 111.142 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.0 -44.39 3.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.12 -9.23 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.874 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -83.77 -20.19 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.881 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -53.3 -26.72 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.91 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -105.65 -10.58 16.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.6 24.38 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.3 ptm -62.24 -32.36 73.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.897 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -26.27 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.14 110.893 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -102.96 29.46 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 64.52 110.896 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -31.11 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.893 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.85 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.788 0.328 . . . . 74.31 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -88.77 -28.01 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.879 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.4 -16.61 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.33 -27.0 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 72.14 111.12 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -90.04 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.91 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.02 -31.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.15 111.135 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.0 -44.44 3.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.9 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -9.08 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 72.02 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -83.6 -19.9 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.918 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -26.48 21.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.9 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -106.66 -9.38 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.24 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -117.01 27.18 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.877 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -32.66 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.841 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -26.4 16.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.42 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.92 32.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.923 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -29.3 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.87 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.333 . . . . 62.24 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -88.78 -28.41 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.07 -16.9 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.925 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.0 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.095 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -89.84 -63.27 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.07 -30.27 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 75.2 111.101 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.9 -43.66 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.932 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.29 -10.54 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 63.45 110.859 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.52 -22.09 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.927 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -56.28 -25.06 46.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.906 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -120.0 -2.12 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.855 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -115.24 36.56 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.5 ptm -52.04 -30.62 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -26.09 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -97.07 31.75 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.921 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -29.88 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.855 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.15 110.919 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 63.22 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.84 -28.33 20.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.03 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.02 -16.97 55.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.894 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.85 -27.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.139 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -89.97 -63.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 54.22 110.886 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.13 -30.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 72.23 111.148 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.84 -43.68 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.933 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 -10.45 8.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.55 -22.38 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 65.11 110.902 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -55.88 -25.43 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 44.11 110.916 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.13 -4.94 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 64.34 110.884 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -113.57 37.62 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.876 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -52.09 -31.72 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 63.43 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -26.12 15.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 63.4 110.915 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -95.98 31.77 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 64.43 110.938 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -31.88 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.893 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 53.14 110.889 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 74.25 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.84 -28.43 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 71.41 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.0 -16.91 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 60.25 110.933 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -58.0 -26.96 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 62.53 111.143 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -63.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.879 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.12 -30.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.138 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -43.65 4.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.923 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.29 -10.64 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -21.89 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 53.34 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -56.19 -25.18 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptt85 -118.53 -3.34 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.01 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.72 29.81 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm -53.04 -28.94 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 73.34 110.905 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -34.8 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.854 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -29.57 25.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.914 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.909 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 64.03 110.902 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.816 0.341 . . . . 62.32 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -88.86 -28.35 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.88 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -16.94 55.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -26.97 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.121 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -90.02 -63.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.878 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.1 -30.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 51.14 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -43.62 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.948 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.47 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.895 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -22.57 26.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 63.12 110.875 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -55.45 -25.88 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.92 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -114.02 -7.43 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.03 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -112.66 38.59 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 74.12 110.837 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -54.29 -29.8 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 61.42 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -100.81 -26.2 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.906 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -95.94 32.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -28.15 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 75.5 110.897 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.915 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.754 0.311 . . . . 74.4 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -88.78 -28.33 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.896 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.08 -16.92 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.13 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.9 -63.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.914 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.98 -30.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.155 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -43.72 3.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.896 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -10.76 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.864 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.03 -21.66 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.9 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -55.82 -25.91 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -113.26 -7.17 13.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.68 25.62 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.23 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.7 ptp -61.62 -32.82 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.09 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 61.23 110.897 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -31.6 63.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.94 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.18 -74.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.856 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 75.32 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -88.74 -28.41 20.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.864 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.08 -16.89 55.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.914 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.97 -26.94 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.35 111.181 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -89.92 -63.2 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 75.14 110.894 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.0 -30.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 52.1 111.196 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.7 -43.73 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.52 110.941 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.18 -10.82 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -21.55 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -55.86 -25.91 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 50.24 110.862 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -113.23 -7.3 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 61.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.63 23.27 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.869 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.9 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.02 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.937 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -98.88 29.3 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.943 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -50.86 -50.41 56.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.892 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 71.03 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -88.58 -28.49 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 64.44 110.884 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -61.69 -17.31 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.88 -26.95 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 75.42 111.116 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.91 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 70.42 110.917 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.1 pp -46.34 -31.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 71.24 111.167 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -43.7 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 65.22 110.959 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.3 -8.99 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.46 -18.2 32.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 71.53 110.946 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -25.63 62.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -119.46 -1.55 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.891 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -114.11 26.36 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.35 110.901 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.92 -30.2 32.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 44.45 110.899 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -26.18 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 61.24 110.902 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.04 32.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -26.94 15.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 73.21 110.93 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.91 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 73.22 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -87.21 -30.9 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.846 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -21.31 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.94 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.16 -26.64 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.6 -63.38 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 63.12 110.901 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.4 -29.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 72.22 111.117 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -43.59 4.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.58 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.5 -22.12 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.951 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.2 -25.06 45.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -120.02 -2.21 10.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -115.18 36.34 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.882 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.5 ptm -52.47 -29.61 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.826 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -26.09 9.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.05 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -71.41 -25.98 62.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.953 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -26.3 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 71.24 110.871 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.858 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.346 . . . . 72.22 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -87.18 -30.92 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.899 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.39 -21.37 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -55.1 -26.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 64.52 111.152 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.63 -63.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 75.24 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.49 -29.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 65.21 111.145 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -43.57 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.934 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.3 -10.61 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.56 -22.1 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.12 110.907 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.15 -25.18 45.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 62.13 110.909 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -119.99 -2.17 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.86 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -115.25 36.54 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 64.5 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -51.94 -30.75 25.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -25.94 11.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -95.99 32.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.07 42.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.02 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 61.4 110.895 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.827 0.346 . . . . 54.33 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.23 -30.91 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.885 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.9 pt20 -57.49 -21.16 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.428 HD11 ' HE3' ' A' ' 5' ' ' LYS . 10.1 pt -55.34 -26.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 71.41 111.147 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -90.47 -63.42 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 52.42 110.873 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.29 -30.16 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.53 111.138 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -43.47 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.38 -10.09 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -21.24 27.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -56.72 -24.83 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -1.95 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.869 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -116.4 37.03 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 61.35 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -30.17 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 54.45 110.885 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -26.5 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.921 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -96.79 28.28 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.923 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -29.07 60.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.916 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.349 . . . . 70.33 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -30.98 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.858 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -21.26 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.2 -26.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.143 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -63.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.913 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.41 -29.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.33 111.147 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -43.63 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 54.3 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.27 -10.63 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -22.62 26.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.49 -25.78 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.88 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -114.42 -7.17 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.31 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -112.97 39.28 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.827 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -31.72 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.15 110.857 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -104.63 -26.31 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -96.2 30.75 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 70.11 110.95 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -31.99 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.865 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 63.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -88.77 -28.3 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 60.41 110.872 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.11 -16.88 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.927 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.96 -27.01 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.153 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -89.96 -63.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.51 110.925 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.92 -30.49 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 73.55 111.131 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.59 -43.73 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.944 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -10.47 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 54.24 110.895 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.9 -23.16 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.915 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -54.27 -27.2 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.916 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -107.28 -11.21 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.874 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.94 23.63 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 70.04 110.913 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.63 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 61.24 110.829 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.11 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 60.24 110.87 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -95.73 33.06 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 71.52 110.944 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -29.95 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 62.2 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.894 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 64.33 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -87.16 -30.9 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.43 -21.18 35.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.34 110.93 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.34 -26.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 65.12 111.142 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -63.41 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 53.23 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.33 -30.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.121 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -43.5 4.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.15 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -21.54 27.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -56.35 -25.1 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.928 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -116.05 -5.74 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 75.23 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -112.53 28.7 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.917 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 ptm -52.35 -32.77 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.55 110.909 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -26.53 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 65.54 110.885 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.0 26.79 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.921 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -29.21 21.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 62.34 110.92 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.403 ' OD1' HD13 ' A' ' 4' ' ' ILE . 33.1 t70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.793 0.33 . . . . 75.13 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -87.18 -30.82 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.882 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.3 pm0 -57.51 -21.25 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.884 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.611 HD11 ' NZ ' ' A' ' 5' ' ' LYS . 10.2 pt -55.26 -26.65 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.52 111.123 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' NZ ' HD11 ' A' ' 4' ' ' ILE . 1.3 mptt -90.63 -63.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.881 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.437 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.31 -30.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.11 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -43.59 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.918 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -10.63 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.902 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.91 -23.1 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.51 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.47 -26.93 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -10.63 15.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -108.34 23.96 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 mtp -59.86 -62.25 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.9 58.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.31 110.876 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.31 31.75 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.897 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 -26.13 7.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 75.14 110.918 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 pttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.917 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.771 0.32 . . . . 74.11 110.842 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -28.14 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.87 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.39 -16.63 55.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 pt -58.32 -26.96 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.42 111.166 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -90.09 -63.25 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.934 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.23 -31.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.093 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -41.93 -43.87 3.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.92 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.15 -9.18 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.883 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -18.3 36.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 62.22 110.929 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.63 -29.08 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 63.44 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -84.39 -19.67 33.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.864 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -120.11 30.68 6.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 63.53 110.879 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.23 -31.99 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 61.42 110.86 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -26.75 65.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.896 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -52.44 -29.94 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.23 110.946 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -31.66 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.881 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 pttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 65.23 110.903 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 65.42 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -88.76 -28.38 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.07 -16.81 54.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.949 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.96 -27.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 73.04 111.148 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . 38.3 mmtt -89.68 -63.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.956 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.29 -30.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.117 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -42.15 -44.38 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.959 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.9 -11.15 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.82 -19.96 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.911 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -54.97 -30.36 58.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.903 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.29 -23.7 24.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.922 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.16 45.26 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptp -54.88 -31.69 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.81 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.845 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.7 26.04 4.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 73.03 110.934 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.63 74.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 70.21 110.926 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.938 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 74.53 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -87.11 -30.97 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.87 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.45 -21.19 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.937 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.34 -26.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.05 111.143 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -90.6 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.89 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.34 -30.09 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.1 111.098 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.922 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -10.43 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -21.03 27.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 54.53 110.892 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -56.48 -25.17 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -114.23 -6.74 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.87 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.73 25.87 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.889 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -32.97 73.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.865 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -28.68 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.901 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -78.0 -28.32 49.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.919 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -120.92 76.73 1.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 63.13 110.952 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 72.25 110.857 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 73.34 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -28.44 20.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.847 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -62.05 -16.9 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 70.22 111.149 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -89.92 -63.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.929 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.1 -30.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 75.22 111.127 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.77 -43.59 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.885 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.26 -10.6 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.832 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -20.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.899 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.65 -24.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -114.71 -6.58 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 62.32 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -17.67 18.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -50.7 -28.91 9.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.851 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -16.4 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.932 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -79.6 -32.79 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -28.08 34.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 55.12 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tttm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 54.23 110.888 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 73.31 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -88.39 -28.22 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.29 -16.67 55.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 54.13 110.909 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.24 -26.89 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.142 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 6.8 mtpp -90.22 -63.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.869 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -45.91 -31.5 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 63.2 111.142 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.416 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -42.0 -44.39 3.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.933 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.12 -9.23 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.874 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -83.77 -20.19 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.881 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -53.3 -26.72 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 54.14 110.91 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -105.65 -10.58 16.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.6 24.38 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.3 ptm -62.24 -32.36 73.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 74.04 110.897 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -26.27 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.14 110.893 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -102.96 29.46 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 64.52 110.896 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -31.11 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.893 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.85 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.788 0.328 . . . . 74.31 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -88.77 -28.01 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.879 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.4 -16.61 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.33 -27.0 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 62.44 111.12 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -90.04 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.91 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.02 -31.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -42.0 -44.44 3.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 71.53 110.9 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -9.08 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 62.33 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -83.6 -19.9 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.918 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.51 -26.48 21.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.9 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -106.66 -9.38 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 64.13 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -117.01 27.18 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.877 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -32.66 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.841 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -26.4 16.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.92 32.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.923 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -29.3 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 52.31 110.86 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.87 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.333 . . . . 62.24 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -88.78 -28.41 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.07 -16.9 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.925 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.0 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.095 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -89.84 -63.27 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.07 -30.27 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 75.2 111.101 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.9 -43.66 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.932 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.29 -10.54 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 63.45 110.859 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.52 -22.09 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.927 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -56.28 -25.06 46.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.906 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -120.0 -2.12 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.855 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -115.24 36.56 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.5 ptm -52.04 -30.62 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -26.09 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -97.07 31.75 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.921 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -29.88 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.855 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.15 110.919 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 63.22 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.84 -28.33 20.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.03 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.02 -16.97 55.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.894 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.85 -27.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.139 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -89.97 -63.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 54.22 110.886 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.13 -30.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 72.23 111.148 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.84 -43.68 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.933 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 -10.45 8.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.55 -22.38 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 65.11 110.902 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -55.88 -25.43 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 44.11 110.916 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.13 -4.94 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 64.34 110.884 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -113.57 37.62 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.876 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -52.09 -31.72 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 63.43 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -26.12 15.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 63.4 110.915 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -95.98 31.77 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 64.43 110.938 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -31.88 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.893 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 53.14 110.889 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 74.25 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.84 -28.43 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 71.41 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.0 -16.91 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 60.25 110.933 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -58.0 -26.96 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 62.53 111.143 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -63.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.879 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.12 -30.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.138 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -43.65 4.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.923 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.29 -10.64 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 -21.89 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 53.34 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -56.19 -25.18 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptt85 -118.53 -3.34 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.01 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.72 29.81 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm -53.04 -28.94 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 73.34 110.905 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -34.8 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.854 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -29.57 25.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.914 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.909 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 64.03 110.902 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.816 0.341 . . . . 62.32 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -88.86 -28.35 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.88 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -16.94 55.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -26.97 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.121 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -90.02 -63.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.878 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.1 -30.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 51.14 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -43.62 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.948 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.47 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.895 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -22.57 26.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 63.12 110.875 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -55.45 -25.88 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.92 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -114.02 -7.43 13.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.03 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -112.66 38.59 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 74.12 110.837 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -54.29 -29.8 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 61.42 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -100.81 -26.2 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.906 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -95.94 32.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -28.15 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 75.5 110.897 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.915 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.754 0.311 . . . . 74.4 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -88.78 -28.33 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.896 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.08 -16.92 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.13 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.9 -63.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.914 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.98 -30.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.155 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -43.72 3.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.896 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -10.76 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.864 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.03 -21.66 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.9 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -55.82 -25.91 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -113.26 -7.17 13.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.68 25.62 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.23 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.7 ptp -61.62 -32.82 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.09 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 61.23 110.897 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -31.6 63.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.94 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -104.18 -74.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.856 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 75.32 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -88.74 -28.41 20.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.864 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.08 -16.89 55.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.914 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.97 -26.94 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.35 111.181 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -89.92 -63.2 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 75.14 110.894 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.0 -30.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 52.1 111.196 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.7 -43.73 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.52 110.941 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.18 -10.82 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -21.55 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -55.86 -25.91 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 50.24 110.862 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -113.23 -7.3 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 61.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.63 23.27 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.869 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.9 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.91 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.02 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.937 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -98.88 29.3 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.943 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -50.86 -50.41 56.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.892 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 71.03 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -88.58 -28.49 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 64.44 110.884 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -61.69 -17.31 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.88 -26.95 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 75.42 111.116 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.91 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 70.42 110.917 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.1 pp -46.34 -31.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 71.24 111.167 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -43.7 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 65.22 110.959 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.3 -8.99 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.46 -18.2 32.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 71.53 110.946 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -25.63 62.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -119.46 -1.55 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.891 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -114.11 26.36 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.35 110.901 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.92 -30.2 32.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 44.45 110.899 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -26.18 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 61.24 110.902 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.04 32.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -26.94 15.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 73.21 110.93 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.91 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 73.22 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -87.21 -30.9 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.846 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -21.31 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.94 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.16 -26.64 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.6 -63.38 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 63.12 110.901 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.4 -29.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 72.22 111.117 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -43.59 4.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.903 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.58 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.5 -22.12 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.951 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.2 -25.06 45.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -120.02 -2.21 10.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -115.18 36.34 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.882 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.5 ptm -52.47 -29.61 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.826 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -26.09 9.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.05 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -71.41 -25.98 62.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.953 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -26.3 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 71.24 110.871 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.858 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.346 . . . . 72.22 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -87.18 -30.92 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.899 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.39 -21.37 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -55.1 -26.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 64.52 111.152 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.63 -63.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 75.24 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.49 -29.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 65.21 111.145 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -43.57 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.934 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.3 -10.61 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.56 -22.1 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.12 110.907 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.15 -25.18 45.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 62.13 110.909 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -119.99 -2.17 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.86 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -115.25 36.54 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 64.5 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -51.94 -30.75 25.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -25.94 11.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -95.99 32.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.07 42.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.02 110.924 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 61.4 110.895 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.827 0.346 . . . . 54.33 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.23 -30.91 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.885 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.9 pt20 -57.49 -21.16 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.428 HD11 ' HE3' ' A' ' 5' ' ' LYS . 10.1 pt -55.34 -26.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 71.41 111.147 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -90.47 -63.42 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 52.42 110.873 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.29 -30.16 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.53 111.138 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -43.47 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.38 -10.09 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -21.24 27.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -56.72 -24.83 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -1.95 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.869 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -116.4 37.03 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 61.35 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -30.17 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 54.45 110.885 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -26.5 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.921 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -96.79 28.28 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.923 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -29.07 60.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.916 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.349 . . . . 70.33 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -30.98 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.858 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -21.26 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.2 -26.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.143 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -63.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.913 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.41 -29.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.33 111.147 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -43.63 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 54.3 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.27 -10.63 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -22.62 26.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.49 -25.78 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.88 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -114.42 -7.17 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.31 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -112.97 39.28 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.827 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -31.72 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.15 110.857 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -104.63 -26.31 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -96.2 30.75 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 70.11 110.95 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -31.99 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.865 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 63.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -88.77 -28.3 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 60.41 110.872 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.11 -16.88 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.927 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.96 -27.01 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.153 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -89.96 -63.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.51 110.925 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.92 -30.49 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 73.55 111.131 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.59 -43.73 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.944 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -10.47 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 54.24 110.895 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.9 -23.16 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.915 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -54.27 -27.2 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.916 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -107.28 -11.21 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.874 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.94 23.63 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 70.04 110.913 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.63 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 61.24 110.829 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.11 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 60.24 110.87 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -95.73 33.06 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 71.52 110.944 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -29.95 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 62.2 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.894 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 64.33 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -87.16 -30.9 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.43 -21.18 35.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.34 110.93 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.34 -26.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 65.12 111.142 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -63.41 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 53.23 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.33 -30.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.121 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -43.5 4.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -10.15 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -21.54 27.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -56.35 -25.1 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.928 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -116.05 -5.74 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 75.23 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -112.53 28.7 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.917 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 ptm -52.35 -32.77 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.55 110.909 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -26.53 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 65.54 110.885 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.0 26.79 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.921 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -29.21 21.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 62.34 110.92 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.403 ' OD1' HD13 ' A' ' 4' ' ' ILE . 33.1 t70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.793 0.33 . . . . 75.13 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -87.18 -30.82 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.882 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 3.3 pm0 -57.51 -21.25 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.884 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.611 HD11 ' NZ ' ' A' ' 5' ' ' LYS . 10.2 pt -55.26 -26.65 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.52 111.123 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' NZ ' HD11 ' A' ' 4' ' ' ILE . 1.3 mptt -90.63 -63.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.881 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.437 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.31 -30.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.11 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -43.59 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.918 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -10.63 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.902 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.91 -23.1 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.51 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.47 -26.93 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -10.63 15.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -108.34 23.96 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 mtp -59.86 -62.25 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.9 58.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.31 110.876 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.31 31.75 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.897 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 -26.13 7.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 75.14 110.918 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 pttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.917 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.771 0.32 . . . . 74.11 110.842 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -28.14 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.87 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.39 -16.63 55.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 pt -58.32 -26.96 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.42 111.166 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -90.09 -63.25 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.934 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.23 -31.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.093 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -41.93 -43.87 3.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.92 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.15 -9.18 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.883 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -18.3 36.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 62.22 110.929 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.63 -29.08 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 63.44 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -84.39 -19.67 33.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.864 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -120.11 30.68 6.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 63.53 110.879 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.23 -31.99 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 61.42 110.86 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -26.75 65.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.896 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -52.44 -29.94 27.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.23 110.946 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -31.66 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.881 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 pttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 65.23 110.903 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 65.42 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -88.76 -28.38 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.07 -16.81 54.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.949 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.96 -27.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 73.04 111.148 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -89.68 -63.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.956 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.29 -30.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.117 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -42.15 -44.38 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.959 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.9 -11.15 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.96 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.911 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -54.97 -30.36 58.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.903 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.29 -23.7 24.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.922 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.16 45.26 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ptp -54.88 -31.69 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.81 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.845 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.7 26.04 4.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 73.03 110.934 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.63 74.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 70.21 110.926 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.938 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 74.53 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -87.11 -30.97 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.87 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.45 -21.19 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.937 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -55.34 -26.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.05 111.143 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -90.6 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.89 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -47.34 -30.09 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.1 111.098 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.922 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -10.43 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -21.03 27.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 54.53 110.892 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -56.48 -25.17 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -114.23 -6.74 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.87 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.73 25.87 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.889 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -32.97 73.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.865 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -28.68 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.901 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -78.0 -28.32 49.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.919 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -120.92 76.73 1.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 63.13 110.952 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 72.25 110.857 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 73.34 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -28.44 20.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.847 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -62.05 -16.9 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -57.92 -27.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 70.22 111.149 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -89.92 -63.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.929 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -47.1 -30.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 75.22 111.127 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.77 -43.59 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.885 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.26 -10.6 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.832 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -20.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.899 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.65 -24.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -114.71 -6.58 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 62.32 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -17.67 18.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -50.7 -28.91 9.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.851 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -16.4 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 74.32 110.932 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -79.6 -32.79 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -28.08 34.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 55.12 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tttm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 54.23 110.888 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 73.31 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -88.39 -28.22 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.29 -16.67 55.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 54.13 110.909 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.24 -26.89 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.142 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 6.8 mtpp -90.22 -63.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.869 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -45.91 -31.5 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 63.2 111.142 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.416 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -42.0 -44.39 3.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.933 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.12 -9.23 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.874 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -83.77 -20.19 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.881 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -53.3 -26.72 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 54.14 110.91 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -105.65 -10.58 16.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.6 24.38 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.3 ptm -62.24 -32.36 73.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 74.04 110.897 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -26.27 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.14 110.893 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -102.96 29.46 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 64.52 110.896 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -31.11 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.893 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.85 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.788 0.328 . . . . 74.31 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -88.77 -28.01 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.879 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.4 -16.61 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.33 -27.0 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 62.44 111.12 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -90.04 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.91 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 6' ' ' ILE . 2.3 pp -46.02 -31.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -42.0 -44.44 3.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 71.53 110.9 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -9.08 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 62.33 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -83.6 -19.9 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.918 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -26.48 21.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.9 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -106.66 -9.38 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 64.13 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -117.01 27.18 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.877 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -32.66 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.841 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -26.4 16.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.92 32.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.923 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.84 -29.3 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 52.31 110.86 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.87 179.891 . . . . . . . . 1 1 . 1 stop_ save_