data_2ncu_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 2ncu _Structure_validation_residue.Date_analyzed 2017-03-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.875 0.369 . . . . 74.230000000000004 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -120.62 -48.55 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.540000000000006 110.898 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.62 -11.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.05 -74.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.128 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -71.34 -23.72 61.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 111.12 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -28.13 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 72.019999999999996 111.175 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.18 2.26 14.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.849 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.17 -36.35 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 64.400000000000006 110.915 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.7 tp -107.05 -2.32 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -5.59 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.878 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -48.88 -36.01 16.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -63.44 -42.05 98.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.891 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -77.8 -48.07 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.932 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -50.67 -36.85 37.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 111.142 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.39 -26.85 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -101.7 -89.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.209999999999994 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 76.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 74.450000000000003 110.948 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 110.887 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.847 0.356 . . . . 73.219999999999999 110.876 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.63 -48.54 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.94 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -94.93 -74.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.163 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -71.28 -23.86 62.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 72.129999999999995 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -28.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 73.129999999999995 111.144 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.39 2.42 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.875 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.23 -36.39 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.907 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 tp -107.04 -2.32 21.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.48 -5.32 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.329999999999998 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -50.28 -35.48 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.869 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.19 88.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.905 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 mt -80.06 -47.97 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.93 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -51.2 -37.41 46.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.467 . . . . 74.040000000000006 111.118 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -85.17 -27.03 26.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -100.5 -90.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.03 75.81 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.849 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.862 0.363 . . . . 74.340000000000003 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -120.69 -48.57 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.57 -11.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -95.01 -74.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 111.17 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -71.38 -23.67 61.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.519999999999996 111.151 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -28.22 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.450000000000003 111.089 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 2.43 14.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.852 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.32 -36.4 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.85 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.9 tp -107.04 -2.33 21.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -5.66 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.895 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -49.03 -36.0 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -63.8 -41.58 97.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.889 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 mt -77.94 -48.11 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 72.439999999999998 110.893 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -50.88 -36.85 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.158 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.26 -26.74 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -101.69 -89.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.95 76.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.865 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.831 0.348 . . . . 75.439999999999998 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.6 -47.69 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 75.540000000000006 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.9 -8.75 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 72.510000000000005 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -98.73 -72.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.075 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.4 m -74.16 -25.77 59.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 111.127 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -26.3 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 2.2 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.865 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.42 -30.43 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.12 -8.06 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.329999999999998 110.902 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.22 -5.66 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.931 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -38.72 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 70.209999999999994 110.906 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -47.04 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 mt -73.81 -46.64 44.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.8 p -48.0 -36.07 12.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 75.030000000000001 111.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -92.04 -26.15 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 110.886 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -102.05 -88.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 64.430000000000007 110.857 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.22 76.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.835 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 72.200000000000003 110.934 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -120.65 -48.58 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.61 -11.93 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.420000000000002 111.104 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -94.83 -74.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.186 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -71.33 -23.64 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 71.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -28.24 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 60.130000000000003 111.117 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.07 2.52 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.52 -36.29 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.896 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.31 -2.41 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.875 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.89 -5.29 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -48.99 -36.89 18.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.876 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -62.67 -46.89 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.329999999999998 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.82 -46.83 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.150000000000006 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.1 p -51.86 -36.46 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.439999999999998 111.17 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -84.93 -27.79 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.818 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -101.78 -89.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.200000000000003 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.27 76.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.94 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.530000000000001 110.867 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 74.200000000000003 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -110.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.530000000000001 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.3 mm -125.68 12.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 71.150000000000006 111.099 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -113.84 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.400000000000006 111.131 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.8 m -89.01 -17.24 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.049999999999997 111.145 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.82 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 2.95 18.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.859 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.31 -36.32 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.530000000000001 110.894 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.97 -2.99 25.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -5.71 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.863 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -35.63 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.56 -47.51 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 110.903 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 p -50.85 -37.24 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.47 -26.61 24.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.420000000000002 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -100.55 -89.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.888 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.11 75.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.030000000000001 110.936 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 70.340000000000003 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.41 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.209999999999994 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -95.16 -74.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 111.14 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.1 m -71.62 -23.6 61.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 111.141 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -28.11 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 111.145 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.47 0.95 14.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 72.540000000000006 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.41 -36.71 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -106.6 -1.18 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.66 0.57 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.019999999999996 110.86 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -56.81 -34.61 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 65.299999999999997 110.835 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -8.42 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.230000000000004 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.02 -39.26 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.945 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.3 p -65.59 -40.66 92.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.200000000000003 111.17 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -76.64 -24.18 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.846 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -96.13 -94.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.59 74.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 64.030000000000001 110.907 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.442 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.888 0.375 . . . . 73.519999999999996 110.96 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -107.44 -58.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.299999999999997 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -126.49 -0.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 71.120000000000005 111.165 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -101.0 -69.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.310000000000002 111.124 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 18.6 m -79.18 -24.65 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.239999999999995 111.169 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -27.95 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 0.45 51.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.839 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -121.18 -28.54 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 71.519999999999996 110.866 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -101.56 -9.28 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.349999999999994 110.918 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.24 -5.0 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.892 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -38.1 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.867 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -59.64 -45.09 93.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.99 -47.2 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.909 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p -49.37 -36.98 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 111.136 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.65 -26.47 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.45 -89.24 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.883 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.21 75.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.881 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.869 0.366 . . . . 75.310000000000002 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -111.41 -66.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 70.109999999999999 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.1 mm -125.75 16.46 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 111.158 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -117.92 -58.34 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 111.168 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -91.94 -16.7 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.154 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -31.29 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.116 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 2.57 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.829 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.19 -36.15 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 tp -102.77 -3.25 26.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 75.230000000000004 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -5.75 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 110.873 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.66 -36.81 16.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 75.319999999999993 110.879 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.13 -46.86 85.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 70.219999999999999 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.7 -46.45 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.88 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -52.05 -36.69 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 111.168 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -84.74 -27.65 26.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -101.28 -89.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.864 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.45 76.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.911 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.843 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 7.0 t80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 73.219999999999999 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.58 -65.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 65.450000000000003 110.861 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 mm -126.67 18.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.1 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -119.66 -59.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.1 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 31.8 m -94.33 -18.15 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.13 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -31.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.121 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.79 1.56 38.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.549999999999997 110.903 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.78 -30.22 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.86 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.88 -9.05 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.77 -5.73 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.901 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -38.89 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.08 -50.0 74.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.96 -46.13 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 63.119999999999997 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.5 p -49.74 -36.07 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 111.129 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -27.92 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 110.863 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.12 -89.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.892 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.72 76.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.88 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.873 0.368 . . . . 73.310000000000002 110.882 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -120.84 -49.29 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 pt -125.44 -8.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.139 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 m -101.41 -76.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 64.530000000000001 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.5 m -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.14 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -28.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 71.439999999999998 111.142 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.48 2.52 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.837 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -109.72 -35.1 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.931 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.9 tp -106.61 -3.35 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.905 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.61 -5.73 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.855 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -48.79 -35.9 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -63.49 -42.49 98.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.530000000000001 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 mt -77.34 -48.01 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.7 p -50.64 -36.58 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 71.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -26.56 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -101.85 -89.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.040000000000006 110.855 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 55.229999999999997 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.863 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 6.6 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.87 0.367 . . . . 73.140000000000001 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.25 -54.9 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.7 mm -126.1 -2.46 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.420000000000002 111.119 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -103.05 -70.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 111.147 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 98.2 m -78.51 -23.32 46.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 111.16 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -27.13 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 111.112 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 2.02 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -121.21 -29.56 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.94 -8.76 21.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.921 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.52 -5.74 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.140000000000001 110.898 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.97 -44.79 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.2 -46.73 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.893 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -52.26 -41.29 62.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 64.299999999999997 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -80.5 -27.51 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 72.030000000000001 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -94.66 -94.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.349999999999994 110.868 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.45 73.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.929 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.841 0.353 . . . . 73.0 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.73 -49.6 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.439999999999998 110.859 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.46 -8.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.349999999999994 111.088 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -101.15 -76.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 111.14 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.4 m -65.62 -28.74 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 70.310000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -28.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.111 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 1.63 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -108.22 -35.82 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.23 -3.25 21.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.14 3.14 10.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.86 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -26.51 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.873 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 -6.39 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.530000000000001 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.19 -48.89 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 65.409999999999997 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -51.59 -37.32 49.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -86.14 -29.22 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 63.210000000000001 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -90.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.894 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.04 74.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 75.430000000000007 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 71.230000000000004 110.924 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 73.400000000000006 110.884 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.85 -50.75 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 65.150000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.34 -10.72 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.112 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -93.77 -71.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 111.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.407 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 52.8 m -71.98 -21.87 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 111.112 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -29.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 111.089 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.09 2.06 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 110.833 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -35.64 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.099999999999994 110.93 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 tp -109.83 -1.89 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.948 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.21 4.05 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -25.11 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -81.41 -7.05 59.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 75.150000000000006 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.89 -49.37 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 74.420000000000002 110.891 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.4 p -51.22 -36.72 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 111.125 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.07 -29.47 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.869 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.02 -90.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.856 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 75.11 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.921 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.891 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 3.6 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 75.519999999999996 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.86 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -125.91 -8.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.135 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 m -92.38 -72.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.16 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.7 m -76.43 -21.46 55.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.219999999999999 111.085 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -26.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.168 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 -0.17 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.858 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.71 -36.74 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 62.240000000000002 110.871 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -105.36 -0.49 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.922 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -6.32 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -38.07 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.420000000000002 110.876 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -59.31 -45.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.23 -47.05 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.877 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p -49.12 -37.06 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.32 111.165 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -88.86 -26.68 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -101.03 -89.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.27 75.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.922 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.540000000000006 110.898 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.422 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 72.25 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.02 -47.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.914 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -126.65 -8.69 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 111.162 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -100.53 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 111.154 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 20.6 m -70.27 -27.42 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 70.150000000000006 111.156 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -25.58 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.530000000000001 111.145 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.93 0.43 56.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.843 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -120.94 -29.54 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.867 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.51 -9.43 20.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.956 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.35 5.5 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.878 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.92 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -80.97 -4.59 55.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 70.329999999999998 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.44 -47.23 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.963 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -52.09 -37.48 54.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -27.27 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.040000000000006 110.855 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -97.64 -90.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.04 75.83 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 74.319999999999993 110.888 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.891 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 75.230000000000004 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -116.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 64.019999999999996 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.8 mm -128.31 14.44 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 111.15 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -110.92 -60.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.230000000000004 111.126 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 p -95.6 -15.63 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.37 -28.52 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 111.151 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.32 5.82 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.853 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -110.67 -35.55 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.841 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 tp -106.54 -3.18 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 75.109999999999999 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.82 -4.29 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.67 -36.0 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.239999999999995 110.867 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -62.66 -43.59 98.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 mt -76.73 -48.12 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.96 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -50.53 -36.53 34.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 111.117 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -87.25 -26.53 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -102.26 -89.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.4 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 110.899 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.859 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.849 0.357 . . . . 72.540000000000006 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -119.82 -61.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.94 18.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 111.094 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -116.43 -59.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.15 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -98.55 -12.33 21.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.135 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -28.92 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.120000000000005 111.104 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.87 1.1 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.85 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -35.37 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -104.37 -3.18 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 110.904 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.66 -7.31 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.905 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -47.61 -37.23 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -61.49 -44.29 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.93 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.15 -46.31 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.906 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.7 p -53.8 -41.45 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 74.140000000000001 111.125 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -79.4 -26.76 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.349999999999994 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -95.99 -93.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.38 73.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 75.230000000000004 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.854 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.864 0.364 . . . . 72.129999999999995 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -120.55 -49.31 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 64.040000000000006 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pt -124.51 -5.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.310000000000002 111.112 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -102.03 -71.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 61.399999999999999 111.125 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -75.98 -25.22 55.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 75.329999999999998 111.141 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -26.37 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.156 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.62 2.22 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 72.530000000000001 110.893 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.24 -30.54 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.868 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.09 -7.95 20.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.120000000000005 110.957 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.46 -5.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 110.821 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -50.44 -38.38 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -58.67 -44.51 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.52 -46.35 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.209999999999994 110.921 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -48.01 -36.0 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 111.17 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.37 -25.75 17.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.861 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -88.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.887 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 75.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.863 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.875 0.369 . . . . 74.040000000000006 110.962 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -120.68 -54.09 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 74.319999999999993 110.888 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.8 mm -128.3 8.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 111.123 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 7.6 m -106.92 -66.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -93.29 -12.25 30.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 74.150000000000006 111.129 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -29.97 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.164 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 0.33 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.821 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -107.65 -36.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.420000000000002 110.902 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -104.48 -2.57 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.66 -4.22 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.86 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -50.0 -33.89 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.63 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.921 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -48.94 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.888 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.5 p -49.88 -39.57 40.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.420000000000002 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -82.62 -30.35 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.44 -90.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.040000000000006 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.72 72.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.109999999999999 110.941 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.847 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.84 0.353 . . . . 73.409999999999997 110.954 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 39.98 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.927 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -120.62 -48.55 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.540000000000006 110.898 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.62 -11.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.05 -74.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.128 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -71.34 -23.72 61.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 111.12 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -28.13 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 72.019999999999996 111.175 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.18 2.26 14.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.849 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.17 -36.35 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 64.400000000000006 110.915 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.7 tp -107.05 -2.32 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -5.59 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.878 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -48.88 -36.01 16.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -63.44 -42.05 98.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.891 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -77.8 -48.07 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.932 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -50.67 -36.85 37.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 111.142 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.39 -26.85 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -101.7 -89.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.209999999999994 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 76.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 74.450000000000003 110.948 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.35 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -103.65 -29.1 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 62.420000000000002 110.867 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.923 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.786 0.327 . . . . 74.400000000000006 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 40.17 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.876 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.63 -48.54 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.94 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -94.93 -74.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.163 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -71.28 -23.86 62.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 72.129999999999995 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -28.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 73.129999999999995 111.144 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.39 2.42 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.875 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.23 -36.39 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.907 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 tp -107.04 -2.32 21.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.48 -5.32 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.329999999999998 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -50.28 -35.48 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.869 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.19 88.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.905 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 mt -80.06 -47.97 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.93 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -51.2 -37.41 46.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.467 . . . . 74.040000000000006 111.118 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -85.17 -27.03 26.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -100.5 -90.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.03 75.81 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.13 -33.34 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.849 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -51.88 -37.22 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.921 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.33 . . . . 74.030000000000001 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 39.89 3.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.340000000000003 110.94 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -120.69 -48.57 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.57 -11.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -95.01 -74.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 111.17 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 m -71.38 -23.67 61.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.519999999999996 111.151 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -28.22 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.450000000000003 111.089 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 2.43 14.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.852 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.32 -36.4 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.85 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.9 tp -107.04 -2.33 21.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -5.66 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.895 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -49.03 -36.0 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -63.8 -41.58 97.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.889 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 mt -77.94 -48.11 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 72.439999999999998 110.893 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -50.88 -36.85 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.158 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.26 -26.74 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -101.69 -89.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.95 76.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.33 -68.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.865 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -74.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.400000000000006 110.885 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.771 0.32 . . . . 73.430000000000007 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.08 34.24 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.439999999999998 110.935 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.6 -47.69 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 75.540000000000006 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.9 -8.75 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 72.510000000000005 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -98.73 -72.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.075 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.4 m -74.16 -25.77 59.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 111.127 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -26.3 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 2.2 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.865 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.42 -30.43 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.12 -8.06 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.329999999999998 110.902 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.22 -5.66 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.931 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -38.72 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 70.209999999999994 110.906 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -47.04 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 mt -73.81 -46.64 44.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.8 p -48.0 -36.07 12.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 75.030000000000001 111.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -92.04 -26.15 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 110.886 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -102.05 -88.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 64.430000000000007 110.857 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.22 76.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -52.87 -27.73 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.835 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -50.95 -31.08 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.010000000000005 110.861 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 74.519999999999996 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.47 39.77 3.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 72.200000000000003 110.934 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -120.65 -48.58 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.61 -11.93 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.420000000000002 111.104 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -94.83 -74.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.186 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -71.33 -23.64 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 71.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -28.24 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 60.130000000000003 111.117 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.07 2.52 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.52 -36.29 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.896 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.31 -2.41 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.875 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.89 -5.29 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -48.99 -36.89 18.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.876 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -62.67 -46.89 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.329999999999998 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.82 -46.83 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.150000000000006 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.1 p -51.86 -36.46 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.439999999999998 111.17 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -84.93 -27.79 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.818 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -101.78 -89.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.200000000000003 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.27 76.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.94 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.52 -68.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.530000000000001 110.867 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -26.56 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.859 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.841 -179.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 73.349999999999994 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.67 39.0 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.919 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -110.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.530000000000001 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.3 mm -125.68 12.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 71.150000000000006 111.099 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -113.84 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.400000000000006 111.131 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.8 m -89.01 -17.24 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.049999999999997 111.145 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.82 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 2.95 18.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.859 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.31 -36.32 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.530000000000001 110.894 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.8 tp -103.97 -2.99 25.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -5.71 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.863 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -35.63 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.56 -47.51 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 110.903 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 p -50.85 -37.24 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.47 -26.61 24.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.420000000000002 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -100.55 -89.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.888 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.11 75.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.96 -33.16 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.030000000000001 110.936 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.89 -34.76 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.209999999999994 110.871 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.019999999999996 110.891 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 74.439999999999998 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.23 40.37 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 70.340000000000003 110.893 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.41 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.209999999999994 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -95.16 -74.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 111.14 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.1 m -71.62 -23.6 61.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 111.141 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -28.11 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 111.145 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.47 0.95 14.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 72.540000000000006 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.41 -36.71 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -106.6 -1.18 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.66 0.57 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.019999999999996 110.86 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -56.81 -34.61 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 65.299999999999997 110.835 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -8.42 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.230000000000004 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.02 -39.26 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.945 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.3 p -65.59 -40.66 92.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.200000000000003 111.17 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -76.64 -24.18 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.846 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -96.13 -94.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.59 74.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.24 -27.58 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 64.030000000000001 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -31.95 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 73.340000000000003 110.882 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.861 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.7 mttm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.836 0.351 . . . . 75.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.442 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -115.02 30.54 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.96 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -107.44 -58.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.299999999999997 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -126.49 -0.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 71.120000000000005 111.165 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -101.0 -69.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.310000000000002 111.124 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 18.6 m -79.18 -24.65 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.239999999999995 111.169 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -27.95 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 0.45 51.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.839 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -121.18 -28.54 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 71.519999999999996 110.866 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -101.56 -9.28 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.349999999999994 110.918 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.24 -5.0 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.892 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -38.1 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.867 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -59.64 -45.09 93.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.99 -47.2 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.909 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p -49.37 -36.98 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 111.136 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.65 -26.47 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.45 -89.24 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.883 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.21 75.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.39 -68.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.881 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -117.42 -32.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 74.150000000000006 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 71.540000000000006 110.885 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.77 0.319 . . . . 74.510000000000005 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.18 41.64 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.310000000000002 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -111.41 -66.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 70.109999999999999 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.1 mm -125.75 16.46 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 111.158 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -117.92 -58.34 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 111.168 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -91.94 -16.7 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.154 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -31.29 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.116 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 2.57 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.829 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.19 -36.15 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 tp -102.77 -3.25 26.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 75.230000000000004 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -5.75 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 110.873 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.66 -36.81 16.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 75.319999999999993 110.879 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.13 -46.86 85.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 70.219999999999999 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.7 -46.45 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.88 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -52.05 -36.69 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 111.168 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -84.74 -27.65 26.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -101.28 -89.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.864 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.45 76.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.911 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -48.79 -68.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.843 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 -32.64 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.519999999999996 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.797 0.332 . . . . 74.239999999999995 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 7.0 t80 -113.23 22.38 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 73.219999999999999 110.922 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.58 -65.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 65.450000000000003 110.861 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 mm -126.67 18.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.1 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -119.66 -59.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.1 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 31.8 m -94.33 -18.15 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.13 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -31.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.121 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.79 1.56 38.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.549999999999997 110.903 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.78 -30.22 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.86 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.88 -9.05 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.77 -5.73 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.901 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -38.89 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.08 -50.0 74.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.96 -46.13 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 63.119999999999997 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.5 p -49.74 -36.07 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 111.129 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -27.92 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 110.863 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.12 -89.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.892 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.72 76.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -49.56 -32.95 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.88 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -119.77 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.540000000000006 110.911 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.430000000000007 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 pttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 73.409999999999997 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.78 41.45 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.882 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -120.84 -49.29 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 pt -125.44 -8.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.139 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 m -101.41 -76.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 64.530000000000001 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.5 m -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.14 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -28.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 71.439999999999998 111.142 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.48 2.52 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.837 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -109.72 -35.1 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.931 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.9 tp -106.61 -3.35 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.905 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.61 -5.73 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.855 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -48.79 -35.9 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -63.49 -42.49 98.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.530000000000001 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 mt -77.34 -48.01 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.7 p -50.64 -36.58 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 71.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -26.56 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -101.85 -89.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.040000000000006 110.855 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 55.229999999999997 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.91 -40.43 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.11 -35.12 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 110.842 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 110.875 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 mttp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 74.030000000000001 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 6.6 t80 -120.22 41.82 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 73.140000000000001 110.924 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.25 -54.9 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.7 mm -126.1 -2.46 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.420000000000002 111.119 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -103.05 -70.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 111.147 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 98.2 m -78.51 -23.32 46.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 111.16 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -27.13 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 111.112 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 2.02 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -121.21 -29.56 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.94 -8.76 21.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.921 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.52 -5.74 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.140000000000001 110.898 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.97 -44.79 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.2 -46.73 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.893 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -52.26 -41.29 62.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 64.299999999999997 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -80.5 -27.51 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 72.030000000000001 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -94.66 -94.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.349999999999994 110.868 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.45 73.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.29 -68.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.929 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.19 -27.14 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.409999999999997 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 75.400000000000006 110.872 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.832 0.349 . . . . 74.450000000000003 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -119.14 41.77 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.934 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.73 -49.6 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.439999999999998 110.859 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.46 -8.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.349999999999994 111.088 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -101.15 -76.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 111.14 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.4 m -65.62 -28.74 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 70.310000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -28.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.111 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 1.63 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -108.22 -35.82 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.23 -3.25 21.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.14 3.14 10.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.86 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -26.51 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.873 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 -6.39 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.530000000000001 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.19 -48.89 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 65.409999999999997 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -51.59 -37.32 49.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -86.14 -29.22 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 63.210000000000001 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -90.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.894 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.04 74.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 75.430000000000007 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.16 -68.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 71.230000000000004 110.924 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -108.09 -31.05 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.907 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.3 mttm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 73.140000000000001 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -120.37 42.34 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.400000000000006 110.884 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.85 -50.75 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 65.150000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.34 -10.72 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.112 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -93.77 -71.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 111.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.407 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 52.8 m -71.98 -21.87 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 111.112 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -29.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 111.089 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.09 2.06 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 110.833 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -35.64 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.099999999999994 110.93 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 tp -109.83 -1.89 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.948 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.21 4.05 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -25.11 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -81.41 -7.05 59.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 75.150000000000006 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.89 -49.37 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 74.420000000000002 110.891 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.4 p -51.22 -36.72 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 111.125 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.07 -29.47 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.869 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.02 -90.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.856 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 75.11 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.921 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -49.27 -68.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.05 -31.42 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 110.874 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 75.129999999999995 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 2' ' ' TYR . 3.6 t80 -120.04 31.74 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 110.923 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.86 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -125.91 -8.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.135 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 m -92.38 -72.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.16 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.7 m -76.43 -21.46 55.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.219999999999999 111.085 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -26.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.168 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 -0.17 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.858 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.71 -36.74 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 62.240000000000002 110.871 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -105.36 -0.49 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.922 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -6.32 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -38.07 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 74.420000000000002 110.876 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -59.31 -45.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.23 -47.05 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.877 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p -49.12 -37.06 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.32 111.165 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -88.86 -26.68 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -101.03 -89.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.27 75.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.922 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -50.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.540000000000006 110.898 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.75 -27.84 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 74.420000000000002 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 61.009999999999998 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.422 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 2.0 t80 -119.94 36.95 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.25 110.892 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.02 -47.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.914 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -126.65 -8.69 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 111.162 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -100.53 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 111.154 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 20.6 m -70.27 -27.42 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 70.150000000000006 111.156 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -25.58 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.530000000000001 111.145 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.93 0.43 56.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.843 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -120.94 -29.54 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.867 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.51 -9.43 20.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.956 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.35 5.5 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.878 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.92 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -80.97 -4.59 55.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 70.329999999999998 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.44 -47.23 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.963 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -52.09 -37.48 54.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -27.27 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.040000000000006 110.855 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -97.64 -90.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.04 75.83 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 74.319999999999993 110.888 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -54.04 -25.99 24.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.891 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.57 29.21 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 74.540000000000006 110.92 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.77 0.319 . . . . 73.409999999999997 110.911 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.5 42.82 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.230000000000004 110.914 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -116.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 64.019999999999996 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.8 mm -128.31 14.44 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 111.15 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -110.92 -60.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.230000000000004 111.126 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 p -95.6 -15.63 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.37 -28.52 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 111.151 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.32 5.82 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.853 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -110.67 -35.55 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.841 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 tp -106.54 -3.18 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 75.109999999999999 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.82 -4.29 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.67 -36.0 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.239999999999995 110.867 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -62.66 -43.59 98.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 mt -76.73 -48.12 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.96 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -50.53 -36.53 34.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 111.117 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -87.25 -26.53 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -102.26 -89.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.4 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 110.899 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -49.88 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.859 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -116.25 -29.06 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.549999999999997 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.540000000000006 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 74.519999999999996 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 44.32 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.919 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -119.82 -61.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.94 18.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 111.094 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -116.43 -59.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.15 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -98.55 -12.33 21.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.135 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -28.92 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.120000000000005 111.104 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.87 1.1 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.85 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -35.37 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -104.37 -3.18 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 110.904 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.66 -7.31 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.905 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -47.61 -37.23 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -61.49 -44.29 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.93 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.15 -46.31 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.906 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.7 p -53.8 -41.45 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 74.140000000000001 111.125 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -79.4 -26.76 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.349999999999994 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -95.99 -93.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.38 73.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 75.230000000000004 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.93 -68.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.854 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -28.16 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.549999999999997 110.881 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.907 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.829 0.347 . . . . 73.299999999999997 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.84 34.32 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.94 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -120.55 -49.31 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 64.040000000000006 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pt -124.51 -5.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.310000000000002 111.112 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -102.03 -71.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 61.399999999999999 111.125 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -75.98 -25.22 55.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 75.329999999999998 111.141 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -26.37 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.156 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.62 2.22 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 72.530000000000001 110.893 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.24 -30.54 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.868 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.09 -7.95 20.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.120000000000005 110.957 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.46 -5.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 110.821 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -50.44 -38.38 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -58.67 -44.51 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.52 -46.35 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.209999999999994 110.921 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -48.01 -36.0 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 111.17 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.37 -25.75 17.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.861 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -88.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.887 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 75.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -56.67 -21.45 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -49.68 -36.69 25.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.848 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 75.420000000000002 110.92 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.11 38.3 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.040000000000006 110.962 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -120.68 -54.09 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 74.319999999999993 110.888 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.8 mm -128.3 8.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 111.123 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 7.6 m -106.92 -66.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -93.29 -12.25 30.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 74.150000000000006 111.129 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -29.97 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.164 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 0.33 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.821 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -107.65 -36.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.420000000000002 110.902 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -104.48 -2.57 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.66 -4.22 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.86 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -50.0 -33.89 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.63 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.921 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -48.94 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.888 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.5 p -49.88 -39.57 40.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.420000000000002 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -82.62 -30.35 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.44 -90.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.040000000000006 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.72 72.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.109999999999999 110.941 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -45.97 -42.59 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.847 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.040000000000006 110.882 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.875 0.369 . . . . 74.230000000000004 110.927 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -120.62 -48.55 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.540000000000006 110.898 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.62 -11.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.340000000000003 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.05 -74.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.128 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.1 m -71.34 -23.72 61.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 111.12 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -28.13 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 43.039999999999999 111.175 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.18 2.26 14.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.849 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.17 -36.35 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.915 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.7 tp -107.05 -2.32 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 72.549999999999997 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.77 -5.59 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.878 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -48.88 -36.01 16.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -63.44 -42.05 98.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.891 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 56.3 mt -77.8 -48.07 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.774 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.67 -36.85 37.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 111.142 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.39 -26.85 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -101.7 -89.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 76.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.948 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.521 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.847 0.356 . . . . 73.219999999999999 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.63 -48.54 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.94 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 71.120000000000005 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.3 m -94.93 -74.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.340000000000003 111.163 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.416 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.2 m -71.28 -23.86 62.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 72.129999999999995 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -28.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 73.129999999999995 111.144 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.39 2.42 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.875 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.23 -36.39 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 62.299999999999997 110.907 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 2' ' ' TYR . 23.0 tp -107.04 -2.32 21.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.883 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.48 -5.32 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.219999999999999 110.889 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -50.28 -35.48 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 71.310000000000002 110.869 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.19 88.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 70.010000000000005 110.905 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 53.1 mt -80.06 -47.97 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.93 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 27.7 p -51.2 -37.41 46.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.467 . . . . 73.150000000000006 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -85.17 -27.03 26.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' HB3' HD23 ' A' ' 18' ' ' LEU . 23.7 mtp180 -100.5 -90.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.519999999999996 110.869 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -123.03 75.81 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 65.430000000000007 110.927 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.849 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.862 0.363 . . . . 73.349999999999994 110.94 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -120.69 -48.57 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 72.239999999999995 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.57 -11.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.1 m -95.01 -74.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 65.430000000000007 111.17 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.7 m -71.38 -23.67 61.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 64.239999999999995 111.151 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -28.22 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.089 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 2.43 14.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.852 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.32 -36.4 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.85 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.9 tp -107.04 -2.33 21.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.68 -5.66 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.129999999999995 110.895 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -49.03 -36.0 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 51.210000000000001 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -63.8 -41.58 97.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.889 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 53.4 mt -77.94 -48.11 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.88 -36.85 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 111.158 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.26 -26.74 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -101.69 -89.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.95 76.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.400000000000006 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.831 0.348 . . . . 75.439999999999998 110.935 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.6 -47.69 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.9 -8.75 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 61.43 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 6' ' ' THR . 4.5 m -98.73 -72.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.075 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 5' ' ' THR . 14.4 m -74.16 -25.77 59.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.519999999999996 111.127 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -26.3 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.540000000000006 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 2.2 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.865 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.42 -30.43 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.12 -8.06 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.329999999999998 110.902 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.22 -5.66 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.931 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -38.72 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 63.450000000000003 110.906 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -47.04 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.109999999999999 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 ' CE1' ' A' ' 11' ' ' PHE . 36.3 mt -73.81 -46.64 44.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.79 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.8 p -48.0 -36.07 12.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 75.030000000000001 111.172 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -92.04 -26.15 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 110.886 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HB3' HD23 ' A' ' 18' ' ' LEU . 81.7 mtt180 -102.05 -88.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 64.150000000000006 110.857 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -123.22 76.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.430000000000007 110.911 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 72.200000000000003 110.934 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -120.65 -48.58 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.61 -11.93 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 72.420000000000002 111.104 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -94.83 -74.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.186 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.3 m -71.33 -23.64 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 54.210000000000001 111.13 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -28.24 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 54.119999999999997 111.117 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.07 2.52 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.030000000000001 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.52 -36.29 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.896 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.566 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.4 tp -107.31 -2.41 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.89 -5.29 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.865 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -48.99 -36.89 18.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.876 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -62.67 -46.89 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 61.310000000000002 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 51.6 mt -71.82 -46.83 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 54.240000000000002 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.1 p -51.86 -36.46 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.140000000000001 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -84.93 -27.79 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.818 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -101.78 -89.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.200000000000003 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.27 76.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.94 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.530000000000001 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.46 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 74.200000000000003 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.615 ' O ' HD13 ' A' ' 4' ' ' ILE . 4.3 mt-10 -110.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.863 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 3' ' ' GLU . 13.3 mm -125.68 12.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.040000000000006 111.099 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -113.84 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 111.131 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 ' HB3' ' A' ' 10' ' ' LEU . 87.8 m -89.01 -17.24 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 60.299999999999997 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.82 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 2.95 18.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.859 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.31 -36.32 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 55.329999999999998 110.894 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' HG22 ' A' ' 6' ' ' THR . 20.8 tp -103.97 -2.99 25.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.903 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.53 -5.71 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.863 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -35.63 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.299999999999997 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 58.4 mt -77.56 -47.51 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 63.140000000000001 110.903 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.1 p -50.85 -37.24 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 61.329999999999998 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.47 -26.61 24.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.5 mtp85 -100.55 -89.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -123.11 75.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 72.510000000000005 110.963 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.030000000000001 110.936 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE1' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 70.340000000000003 110.893 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.41 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 72.510000000000005 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -95.16 -74.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 111.14 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 37.1 m -71.62 -23.6 61.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.141 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -28.11 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 111.145 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.47 0.95 14.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 72.540000000000006 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.41 -36.71 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.3 tp -106.6 -1.18 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.878 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.66 0.57 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.019999999999996 110.86 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -56.81 -34.61 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 63.030000000000001 110.835 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -8.42 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 72.400000000000006 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 11' ' ' PHE . 67.2 mt -102.02 -39.26 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.814 HG22 ' CE1' ' A' ' 19' ' ' PHE . 17.3 p -65.59 -40.66 92.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 54.119999999999997 111.17 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -76.64 -24.18 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.846 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.76 ' HB3' HD23 ' A' ' 18' ' ' LEU . 5.1 mpt_? -96.13 -94.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -124.59 74.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.929 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.0 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 64.030000000000001 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.69 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 5.3 t80 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.888 0.375 . . . . 73.519999999999996 110.96 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -107.44 -58.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.299999999999997 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 4' ' ' ILE . 40.9 mm -126.49 -0.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 70.400000000000006 111.165 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -101.0 -69.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.409999999999997 111.124 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 18.6 m -79.18 -24.65 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.239999999999995 111.169 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -27.95 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 0.45 51.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.839 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -121.18 -28.54 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 60.409999999999997 110.866 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 25.8 tp -101.56 -9.28 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.72 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.24 -5.0 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.892 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -38.1 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.867 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -59.64 -45.09 93.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 87.1 mt -74.99 -47.2 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.509999999999998 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.4 p -49.37 -36.98 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.65 -26.47 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.45 -89.24 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 110.883 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.21 75.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.881 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.869 0.366 . . . . 75.310000000000002 110.966 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 4' ' ' ILE . 24.6 mt-10 -111.41 -66.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 45.310000000000002 110.906 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.1 mm -125.75 16.46 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 111.158 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -117.92 -58.34 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 111.168 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 10' ' ' LEU . 94.9 m -91.94 -16.7 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.154 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -31.29 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.116 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 2.57 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.829 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.19 -36.15 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 6' ' ' THR . 21.2 tp -102.77 -3.25 26.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 110.891 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.5 -5.75 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 110.873 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.66 -36.81 16.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.879 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.13 -46.86 85.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 63.210000000000001 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 58.0 mt -71.7 -46.45 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -52.05 -36.69 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.439999999999998 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -84.74 -27.65 26.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.7 mpt_? -101.28 -89.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.864 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -122.45 76.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.911 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.843 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 10' ' ' LEU . 7.0 t80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 70.340000000000003 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 4' ' ' ILE . 1.8 mt-10 -100.58 -65.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 62.350000000000001 110.861 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.5 mm -126.67 18.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.1 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -119.66 -59.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.539999999999999 111.1 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 31.8 m -94.33 -18.15 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.13 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.735 HD13 ' HB2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -62.45 -31.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.121 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.79 1.56 38.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.903 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.78 -30.22 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.86 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 2' ' ' TYR . 20.6 tp -98.88 -9.05 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 64.129999999999995 110.898 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.77 -5.73 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 60.299999999999997 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -38.89 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.08 -50.0 74.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.219999999999999 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 11' ' ' PHE . 91.2 mt -69.96 -46.13 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 63.119999999999997 110.904 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 33.5 p -49.74 -36.07 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 61.039999999999999 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -27.92 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 110.863 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.12 -89.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.892 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.72 76.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 63.149999999999999 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.462 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.873 0.368 . . . . 72.109999999999999 110.882 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.711 ' HA ' HD12 ' A' ' 7' ' ' ILE . 16.8 pt-20 -120.84 -49.29 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.120000000000005 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 pt -125.44 -8.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.139 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 m -101.41 -76.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 62.409999999999997 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.5 m -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.14 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.27 -28.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 63.409999999999997 111.142 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.48 2.52 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.837 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -109.72 -35.1 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.931 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.9 tp -106.61 -3.35 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.905 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.61 -5.73 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.855 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -48.79 -35.9 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -63.49 -42.49 98.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 59.0 mt -77.34 -48.01 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.92 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.781 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.7 p -50.64 -36.58 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 63.399999999999999 111.163 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -26.56 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -101.85 -89.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.855 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 55.229999999999997 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.482 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 6.6 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.87 0.367 . . . . 71.109999999999999 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.25 -54.9 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 4' ' ' ILE . 44.7 mm -126.1 -2.46 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.420000000000002 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 6' ' ' THR . 4.4 m -103.05 -70.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.147 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 98.2 m -78.51 -23.32 46.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 63.420000000000002 111.16 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -27.13 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 111.112 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 2.02 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -121.21 -29.56 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 33.3 tp -101.94 -8.76 21.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 54.310000000000002 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.52 -5.74 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 110.898 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.97 -44.79 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 11' ' ' PHE . 4.5 tp -77.2 -46.73 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 20.5 p -52.26 -41.29 62.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 62.5 111.086 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -80.5 -27.51 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 72.030000000000001 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -94.66 -94.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.868 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.45 73.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.119999999999997 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 110.929 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.459 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.841 0.353 . . . . 71.140000000000001 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.0 pt-20 -120.73 -49.6 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 110.859 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.46 -8.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.349999999999994 111.088 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -101.15 -76.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.14 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.459 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.4 m -65.62 -28.74 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 64.219999999999999 111.126 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -65.76 -28.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.111 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 1.63 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -108.22 -35.82 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.23 -3.25 21.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.14 3.14 10.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.86 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -26.51 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.873 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 -6.39 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 53.009999999999998 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.19 -48.89 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 65.409999999999997 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -51.59 -37.32 49.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.219999999999999 111.178 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -86.14 -29.22 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 61.439999999999998 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -90.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.894 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.04 74.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 75.430000000000007 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.509999999999998 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 73.400000000000006 110.884 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.85 -50.75 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.540000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.34 -10.72 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.112 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -93.77 -71.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 111.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 52.8 m -71.98 -21.87 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 53.329999999999998 111.112 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -29.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 62.049999999999997 111.089 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.09 2.06 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.109999999999999 110.833 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.95 -35.64 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.099999999999994 110.93 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 tp -109.83 -1.89 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.948 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -122.21 4.05 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.864 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -25.11 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -81.41 -7.05 59.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 65.519999999999996 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.89 -49.37 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 52.149999999999999 110.891 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.808 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.4 p -51.22 -36.72 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 111.125 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.07 -29.47 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.869 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.02 -90.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.856 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 75.11 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.509999999999998 110.921 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.891 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.409 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 3.6 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 75.519999999999996 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.86 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -125.91 -8.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.135 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 15.7 m -92.38 -72.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.25 111.16 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 72.7 m -76.43 -21.46 55.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 55.450000000000003 111.085 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -26.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.168 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 -0.17 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.858 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -105.71 -36.74 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 62.240000000000002 110.871 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -105.36 -0.49 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.922 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -121.22 -6.32 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.200000000000003 110.896 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -38.07 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.439999999999998 110.876 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -59.31 -45.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.099999999999994 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 90.0 mt -75.23 -47.05 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 70.439999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.1 p -49.12 -37.06 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.32 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -88.86 -26.68 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -101.03 -89.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.27 75.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.922 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 71.420000000000002 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.5 pt-20 -121.02 -47.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 70.239999999999995 110.914 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -126.65 -8.69 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 111.162 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 6' ' ' THR . 12.1 m -100.53 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.140000000000001 111.154 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 20.6 m -70.27 -27.42 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.409999999999997 111.156 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.76 -25.58 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 111.145 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.93 0.43 56.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.843 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -120.94 -29.54 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.867 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.51 -9.43 20.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.956 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -123.35 5.5 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 110.878 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.92 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -80.97 -4.59 55.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 64.109999999999999 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 38.7 mt -113.44 -47.23 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.963 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.807 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -52.09 -37.48 54.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.133 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -27.27 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 110.855 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD23 ' A' ' 18' ' ' LEU . 3.8 mpt_? -97.64 -90.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.149999999999999 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -123.04 75.83 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.888 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.5 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 71.400000000000006 110.891 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 62.049999999999997 110.914 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.669 ' O ' HD13 ' A' ' 4' ' ' ILE . 9.7 mt-10 -116.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 64.019999999999996 110.885 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.8 mm -128.31 14.44 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 111.15 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -110.92 -60.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 70.349999999999994 111.126 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 p -95.6 -15.63 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.37 -28.52 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 111.151 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.32 5.82 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.853 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -110.67 -35.55 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.841 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 2' ' ' TYR . 22.3 tp -106.54 -3.18 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 75.109999999999999 110.92 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.82 -4.29 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 110.86 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.67 -36.0 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.140000000000001 110.867 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -62.66 -43.59 98.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 57.7 mt -76.73 -48.12 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.768 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.0 p -50.53 -36.53 34.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -87.25 -26.53 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -102.26 -89.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.049999999999997 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.4 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 110.899 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.849 0.357 . . . . 72.540000000000006 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 4' ' ' ILE . 58.1 mt-10 -119.82 -61.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.7 mm -127.94 18.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.094 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 4.6 m -116.43 -59.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -98.55 -12.33 21.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.135 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -28.92 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.120000000000005 111.104 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.87 1.1 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.85 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -110.4 -35.37 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.887 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -104.37 -3.18 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.904 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -7.31 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 61.009999999999998 110.905 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -47.61 -37.23 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -61.49 -44.29 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.93 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 11' ' ' PHE . 5.1 tp -77.15 -46.31 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.906 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.804 HG22 ' CE1' ' A' ' 19' ' ' PHE . 18.7 p -53.8 -41.45 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 71.310000000000002 111.125 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -79.4 -26.76 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.209999999999994 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -95.99 -93.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.38 73.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.109999999999999 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG22 ' A' ' 15' ' ' THR . 9.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.854 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.864 0.364 . . . . 71.019999999999996 110.94 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -120.55 -49.31 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 55.25 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pt -124.51 -5.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.310000000000002 111.112 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 6' ' ' THR . 3.9 m -102.03 -71.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 53.030000000000001 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 5' ' ' THR . 16.0 m -75.98 -25.22 55.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 71.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -26.37 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.156 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.62 2.22 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 72.530000000000001 110.893 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.24 -30.54 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.868 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.09 -7.95 20.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.120000000000005 110.957 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.46 -5.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.821 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -50.44 -38.38 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -58.67 -44.51 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HG ' ' A' ' 18' ' ' LEU . 8.2 mt -76.52 -46.35 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 62.329999999999998 110.921 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.6 p -48.01 -36.0 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 111.17 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.37 -25.75 17.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 55.409999999999997 110.861 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.795 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -99.75 -88.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.887 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -123.82 75.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.455 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.875 0.369 . . . . 72.049999999999997 110.962 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 4' ' ' ILE . 11.4 mm-40 -120.68 -54.09 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 74.319999999999993 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 3' ' ' GLU . 14.8 mm -128.3 8.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.120000000000005 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 7.6 m -106.92 -66.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -93.29 -12.25 30.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 111.129 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -29.97 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.164 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 0.33 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.109999999999999 110.821 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -107.65 -36.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 54.340000000000003 110.902 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD23 ' OH ' ' A' ' 2' ' ' TYR . 19.9 tp -104.48 -2.57 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.030000000000001 110.898 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -4.22 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.86 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -50.0 -33.89 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.63 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.921 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -86.06 -48.94 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.888 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.818 HG22 ' CE1' ' A' ' 19' ' ' PHE . 22.5 p -49.88 -39.57 40.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.420000000000002 111.146 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -82.62 -30.35 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.762 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -93.44 -90.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.040000000000006 110.884 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -124.72 72.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.109999999999999 110.941 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.818 ' CE1' HG22 ' A' ' 15' ' ' THR . 5.9 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.847 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.84 0.353 . . . . 70.109999999999999 110.954 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.41 39.98 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.927 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -120.62 -48.55 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.540000000000006 110.898 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.62 -11.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.340000000000003 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.05 -74.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.128 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.1 m -71.34 -23.72 61.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 111.12 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -28.13 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 43.039999999999999 111.175 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.18 2.26 14.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.849 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.17 -36.35 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.915 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.7 tp -107.05 -2.32 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 72.549999999999997 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.77 -5.59 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.878 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -48.88 -36.01 16.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -63.44 -42.05 98.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.891 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 56.3 mt -77.8 -48.07 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.774 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.67 -36.85 37.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 111.142 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.39 -26.85 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -101.7 -89.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 76.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.948 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.35 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -103.65 -29.1 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 62.420000000000002 110.867 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.923 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.786 0.327 . . . . 74.049999999999997 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.521 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.41 40.17 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.876 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.63 -48.54 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.94 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 71.120000000000005 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.3 m -94.93 -74.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.340000000000003 111.163 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.416 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.2 m -71.28 -23.86 62.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 72.129999999999995 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -28.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 73.129999999999995 111.144 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.39 2.42 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.875 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.23 -36.39 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 62.299999999999997 110.907 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 2' ' ' TYR . 23.0 tp -107.04 -2.32 21.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.883 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.48 -5.32 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.219999999999999 110.889 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -50.28 -35.48 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 71.310000000000002 110.869 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.19 88.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 70.010000000000005 110.905 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 21' ' ' ARG . 53.1 mt -80.06 -47.97 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.93 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 27.7 p -51.2 -37.41 46.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.467 . . . . 73.150000000000006 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -85.17 -27.03 26.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' HB3' HD23 ' A' ' 18' ' ' LEU . 23.7 mtp180 -100.5 -90.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.519999999999996 110.869 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -123.03 75.81 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 65.430000000000007 110.927 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 -49.13 -33.34 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -51.88 -37.22 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 72.030000000000001 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.776 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.921 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.33 . . . . 72.219999999999999 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.46 39.89 3.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 73.349999999999994 110.94 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -120.69 -48.57 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 72.239999999999995 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.57 -11.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.1 m -95.01 -74.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 65.430000000000007 111.17 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.7 m -71.38 -23.67 61.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 64.239999999999995 111.151 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -28.22 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.089 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 2.43 14.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.852 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.32 -36.4 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.85 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.9 tp -107.04 -2.33 21.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.68 -5.66 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.129999999999995 110.895 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -49.03 -36.0 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 51.210000000000001 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -63.8 -41.58 97.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.889 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 53.4 mt -77.94 -48.11 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.88 -36.85 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 111.158 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.26 -26.74 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -101.69 -89.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.95 76.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.400000000000006 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.33 -68.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.865 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -74.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 70.25 110.885 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.771 0.32 . . . . 73.430000000000007 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -121.08 34.24 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.439999999999998 110.935 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.6 -47.69 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.9 -8.75 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 61.43 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 6' ' ' THR . 4.5 m -98.73 -72.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.075 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 5' ' ' THR . 14.4 m -74.16 -25.77 59.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.519999999999996 111.127 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -26.3 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.540000000000006 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 2.2 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.865 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.42 -30.43 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.12 -8.06 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.329999999999998 110.902 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.22 -5.66 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.931 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -38.72 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 63.450000000000003 110.906 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -47.04 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.109999999999999 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 ' CE1' ' A' ' 11' ' ' PHE . 36.3 mt -73.81 -46.64 44.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.79 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.8 p -48.0 -36.07 12.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 75.030000000000001 111.172 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -92.04 -26.15 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 110.886 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HB3' HD23 ' A' ' 18' ' ' LEU . 81.7 mtt180 -102.05 -88.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 64.150000000000006 110.857 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -123.22 76.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.430000000000007 110.911 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 -52.87 -27.73 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.835 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -50.95 -31.08 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.010000000000005 110.861 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 74.340000000000003 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.47 39.77 3.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 72.200000000000003 110.934 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -120.65 -48.58 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.61 -11.93 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 72.420000000000002 111.104 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -94.83 -74.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.186 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.3 m -71.33 -23.64 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 54.210000000000001 111.13 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -28.24 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 54.119999999999997 111.117 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.07 2.52 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.030000000000001 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.52 -36.29 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.896 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.4 tp -107.31 -2.41 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.89 -5.29 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.865 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -48.99 -36.89 18.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.876 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -62.67 -46.89 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 61.310000000000002 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 51.6 mt -71.82 -46.83 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 54.240000000000002 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.1 p -51.86 -36.46 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.140000000000001 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -84.93 -27.79 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.818 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -101.78 -89.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.200000000000003 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.27 76.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.94 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 -48.52 -68.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.530000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -26.56 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.859 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 64.519999999999996 110.841 -179.864 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 54.32 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.46 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -117.67 39.0 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.919 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.615 ' O ' HD13 ' A' ' 4' ' ' ILE . 4.3 mt-10 -110.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.863 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 3' ' ' GLU . 13.3 mm -125.68 12.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.040000000000006 111.099 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -113.84 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 111.131 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 ' HB3' ' A' ' 10' ' ' LEU . 87.8 m -89.01 -17.24 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 60.299999999999997 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.82 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 2.95 18.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.859 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.31 -36.32 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 55.329999999999998 110.894 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' HG22 ' A' ' 6' ' ' THR . 20.8 tp -103.97 -2.99 25.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.903 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.53 -5.71 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.863 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -35.63 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.299999999999997 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.67 HD13 ' C ' ' A' ' 21' ' ' ARG . 58.4 mt -77.56 -47.51 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 63.140000000000001 110.903 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.1 p -50.85 -37.24 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 61.329999999999998 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.47 -26.61 24.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.5 mtp85 -100.55 -89.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -123.11 75.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 72.510000000000005 110.963 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 -49.96 -33.16 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.030000000000001 110.936 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.89 -34.76 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 74.430000000000007 110.871 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.697 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.019999999999996 110.891 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 74.439999999999998 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE1' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -120.23 40.37 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 70.340000000000003 110.893 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.41 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 72.510000000000005 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -95.16 -74.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 111.14 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 37.1 m -71.62 -23.6 61.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.141 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -28.11 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 111.145 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.47 0.95 14.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 72.540000000000006 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.41 -36.71 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.3 tp -106.6 -1.18 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.878 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.66 0.57 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.019999999999996 110.86 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -56.81 -34.61 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 63.030000000000001 110.835 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -8.42 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 72.400000000000006 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' CD ' ' A' ' 21' ' ' ARG . 67.2 mt -102.02 -39.26 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.814 HG22 ' CE1' ' A' ' 19' ' ' PHE . 17.3 p -65.59 -40.66 92.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 54.119999999999997 111.17 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -76.64 -24.18 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.846 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.76 ' HB3' HD23 ' A' ' 18' ' ' LEU . 5.1 mpt_? -96.13 -94.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -124.59 74.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.929 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.0 t80 -51.24 -27.58 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 64.030000000000001 110.907 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -31.95 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 71.430000000000007 110.882 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.594 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.7 mttm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.836 0.351 . . . . 72.420000000000002 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.69 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 5.3 t80 -115.02 30.54 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.96 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -107.44 -58.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.299999999999997 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 4' ' ' ILE . 40.9 mm -126.49 -0.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 70.400000000000006 111.165 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -101.0 -69.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.409999999999997 111.124 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 18.6 m -79.18 -24.65 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.239999999999995 111.169 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -27.95 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 0.45 51.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.839 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -121.18 -28.54 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 60.409999999999997 110.866 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 25.8 tp -101.56 -9.28 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.72 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.24 -5.0 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.892 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -38.1 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.867 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -59.64 -45.09 93.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 87.1 mt -74.99 -47.2 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.509999999999998 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.4 p -49.37 -36.98 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.65 -26.47 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.45 -89.24 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 110.883 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.21 75.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 -50.39 -68.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.881 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -117.42 -32.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 74.150000000000006 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.030000000000001 110.885 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.77 0.319 . . . . 73.349999999999994 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.18 41.64 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.310000000000002 110.966 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 4' ' ' ILE . 24.6 mt-10 -111.41 -66.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 45.310000000000002 110.906 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.1 mm -125.75 16.46 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 111.158 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -117.92 -58.34 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 111.168 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 10' ' ' LEU . 94.9 m -91.94 -16.7 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.154 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -31.29 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.116 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 2.57 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.829 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.19 -36.15 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 6' ' ' THR . 21.2 tp -102.77 -3.25 26.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 110.891 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.5 -5.75 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 110.873 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.66 -36.81 16.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.879 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.13 -46.86 85.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 63.210000000000001 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 58.0 mt -71.7 -46.45 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -52.05 -36.69 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.439999999999998 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -84.74 -27.65 26.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.7 mpt_? -101.28 -89.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.864 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -122.45 76.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.911 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 -48.79 -68.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.843 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 -32.64 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 72.219999999999999 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.519999999999996 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.464 ' HG2' HG21 ' A' ' 5' ' ' THR . 1.4 mptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.797 0.332 . . . . 63.310000000000002 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 10' ' ' LEU . 7.0 t80 -113.23 22.38 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 70.340000000000003 110.922 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 4' ' ' ILE . 1.8 mt-10 -100.58 -65.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 62.350000000000001 110.861 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.5 mm -126.67 18.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.1 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 1' ' ' LYS . 1.8 m -119.66 -59.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.539999999999999 111.1 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 31.8 m -94.33 -18.15 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.13 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.735 HD13 ' HB2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -62.45 -31.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.121 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.79 1.56 38.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.903 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.78 -30.22 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.86 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 2' ' ' TYR . 20.6 tp -98.88 -9.05 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 64.129999999999995 110.898 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.77 -5.73 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 60.299999999999997 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -38.89 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.08 -50.0 74.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.219999999999999 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 11' ' ' PHE . 91.2 mt -69.96 -46.13 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 63.119999999999997 110.904 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 33.5 p -49.74 -36.07 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 61.039999999999999 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -27.92 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 110.863 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.12 -89.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.892 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.72 76.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 63.149999999999999 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 -49.56 -32.95 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.88 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -119.77 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.140000000000001 110.911 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 pttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 73.409999999999997 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.462 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.78 41.45 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.882 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.711 ' HA ' HD12 ' A' ' 7' ' ' ILE . 16.8 pt-20 -120.84 -49.29 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.120000000000005 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 pt -125.44 -8.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.139 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 m -101.41 -76.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 62.409999999999997 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.5 m -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.14 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.27 -28.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 63.409999999999997 111.142 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.48 2.52 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.837 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -109.72 -35.1 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.931 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.9 tp -106.61 -3.35 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.905 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.61 -5.73 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.855 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -48.79 -35.9 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -63.49 -42.49 98.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 59.0 mt -77.34 -48.01 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.92 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.781 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.7 p -50.64 -36.58 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 63.399999999999999 111.163 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -26.56 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -101.85 -89.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.855 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 55.229999999999997 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.91 -40.43 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.11 -35.12 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 110.842 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 110.875 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 mttp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 74.030000000000001 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.482 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 6.6 t80 -120.22 41.82 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 71.109999999999999 110.924 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.25 -54.9 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 4' ' ' ILE . 44.7 mm -126.1 -2.46 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.420000000000002 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 6' ' ' THR . 4.4 m -103.05 -70.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.147 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 98.2 m -78.51 -23.32 46.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 63.420000000000002 111.16 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -27.13 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 111.112 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 2.02 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -121.21 -29.56 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 33.3 tp -101.94 -8.76 21.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 54.310000000000002 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.52 -5.74 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 110.898 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.97 -44.79 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 11' ' ' PHE . 4.5 tp -77.2 -46.73 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 20.5 p -52.26 -41.29 62.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 62.5 111.086 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -80.5 -27.51 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 72.030000000000001 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -94.66 -94.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.868 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.45 73.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.119999999999997 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.2 t80 -46.29 -68.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 110.929 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.19 -27.14 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.409999999999997 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 75.040000000000006 110.872 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.832 0.349 . . . . 74.450000000000003 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.459 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -119.14 41.77 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 71.140000000000001 110.934 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.0 pt-20 -120.73 -49.6 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 110.859 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.46 -8.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.349999999999994 111.088 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -101.15 -76.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.14 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.4 m -65.62 -28.74 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 64.219999999999999 111.126 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -65.76 -28.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.111 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 1.63 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -108.22 -35.82 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.23 -3.25 21.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.14 3.14 10.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.86 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -26.51 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.873 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 -6.39 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 53.009999999999998 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.19 -48.89 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 65.409999999999997 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -51.59 -37.32 49.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.219999999999999 111.178 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -86.14 -29.22 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 61.439999999999998 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -90.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.894 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.04 74.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 75.430000000000007 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.16 -68.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.509999999999998 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -108.09 -31.05 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 70.319999999999993 110.907 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.3 mttm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 71.219999999999999 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -120.37 42.34 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.400000000000006 110.884 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.85 -50.75 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.540000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.34 -10.72 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.112 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -93.77 -71.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 111.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 52.8 m -71.98 -21.87 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 53.329999999999998 111.112 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -29.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 62.049999999999997 111.089 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.09 2.06 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.109999999999999 110.833 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.95 -35.64 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.099999999999994 110.93 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 tp -109.83 -1.89 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.948 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -122.21 4.05 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.864 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -25.11 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -81.41 -7.05 59.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 65.519999999999996 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.89 -49.37 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 52.149999999999999 110.891 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.808 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.4 p -51.22 -36.72 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 111.125 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.07 -29.47 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.869 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.02 -90.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.856 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 75.11 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.509999999999998 110.921 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 -49.27 -68.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.891 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.05 -31.42 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 110.874 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 70.310000000000002 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.409 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 3.6 t80 -120.04 31.74 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 110.923 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.86 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -125.91 -8.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.135 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 15.7 m -92.38 -72.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.25 111.16 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 72.7 m -76.43 -21.46 55.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 55.450000000000003 111.085 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -26.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.168 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 -0.17 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.858 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -105.71 -36.74 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 62.240000000000002 110.871 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -105.36 -0.49 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.922 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -121.22 -6.32 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.200000000000003 110.896 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -38.07 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.439999999999998 110.876 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -59.31 -45.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.099999999999994 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 90.0 mt -75.23 -47.05 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 70.439999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.1 p -49.12 -37.06 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.32 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -88.86 -26.68 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -101.03 -89.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.27 75.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.922 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 -50.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.898 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.75 -27.84 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 70.239999999999995 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 55.119999999999997 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 2.0 t80 -119.94 36.95 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.892 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.5 pt-20 -121.02 -47.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 70.239999999999995 110.914 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -126.65 -8.69 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 111.162 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 6' ' ' THR . 12.1 m -100.53 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.140000000000001 111.154 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 20.6 m -70.27 -27.42 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.409999999999997 111.156 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.76 -25.58 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 111.145 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.93 0.43 56.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.843 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -120.94 -29.54 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.867 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.51 -9.43 20.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.956 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -123.35 5.5 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 110.878 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.92 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -80.97 -4.59 55.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 64.109999999999999 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 21' ' ' ARG . 38.7 mt -113.44 -47.23 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.963 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.807 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -52.09 -37.48 54.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.133 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -27.27 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 110.855 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD23 ' A' ' 18' ' ' LEU . 3.8 mpt_? -97.64 -90.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.149999999999999 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -123.04 75.83 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.888 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.5 t80 -54.04 -25.99 24.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 71.400000000000006 110.891 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.57 29.21 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 74.239999999999995 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.77 0.319 . . . . 72.420000000000002 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.5 42.82 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 62.049999999999997 110.914 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.669 ' O ' HD13 ' A' ' 4' ' ' ILE . 9.7 mt-10 -116.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 64.019999999999996 110.885 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.8 mm -128.31 14.44 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 111.15 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -110.92 -60.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 70.349999999999994 111.126 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 1' ' ' LYS . 24.3 p -95.6 -15.63 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.169 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.37 -28.52 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 111.151 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.32 5.82 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.853 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -110.67 -35.55 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.841 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 2' ' ' TYR . 22.3 tp -106.54 -3.18 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 75.109999999999999 110.92 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.82 -4.29 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 110.86 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.67 -36.0 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.140000000000001 110.867 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -62.66 -43.59 98.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 57.7 mt -76.73 -48.12 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.768 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.0 p -50.53 -36.53 34.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -87.25 -26.53 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -102.26 -89.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.049999999999997 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.4 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 110.899 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 -49.88 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.859 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -116.25 -29.06 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 62.219999999999999 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.540000000000006 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 74.519999999999996 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 44.32 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.919 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 4' ' ' ILE . 58.1 mt-10 -119.82 -61.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.7 mm -127.94 18.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.094 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 4.6 m -116.43 -59.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -98.55 -12.33 21.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.135 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -28.92 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.120000000000005 111.104 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.87 1.1 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.85 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -110.4 -35.37 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.887 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -104.37 -3.18 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.904 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -7.31 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 61.009999999999998 110.905 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -47.61 -37.23 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -61.49 -44.29 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.93 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 11' ' ' PHE . 5.1 tp -77.15 -46.31 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.906 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.804 HG22 ' CE1' ' A' ' 19' ' ' PHE . 18.7 p -53.8 -41.45 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 71.310000000000002 111.125 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -79.4 -26.76 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.209999999999994 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -95.99 -93.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.38 73.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.109999999999999 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG22 ' A' ' 15' ' ' THR . 9.2 t80 -46.93 -68.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.854 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -28.16 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 71.209999999999994 110.881 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.907 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.829 0.347 . . . . 72.349999999999994 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.84 34.32 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.94 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -120.55 -49.31 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 55.25 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pt -124.51 -5.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.310000000000002 111.112 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 6' ' ' THR . 3.9 m -102.03 -71.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 53.030000000000001 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 5' ' ' THR . 16.0 m -75.98 -25.22 55.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 71.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -26.37 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.156 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.62 2.22 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 72.530000000000001 110.893 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.24 -30.54 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.868 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.09 -7.95 20.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.120000000000005 110.957 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.46 -5.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.821 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -50.44 -38.38 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -58.67 -44.51 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HG ' ' A' ' 18' ' ' LEU . 8.2 mt -76.52 -46.35 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 62.329999999999998 110.921 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.6 p -48.01 -36.0 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 111.17 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.37 -25.75 17.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 55.409999999999997 110.861 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.795 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -99.75 -88.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.887 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -123.82 75.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.7 t80 -56.67 -21.45 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.863 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -49.68 -36.69 25.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.848 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 110.899 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 75.420000000000002 110.92 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.455 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -121.11 38.3 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 72.049999999999997 110.962 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 4' ' ' ILE . 11.4 mm-40 -120.68 -54.09 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 74.319999999999993 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 3' ' ' GLU . 14.8 mm -128.3 8.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.120000000000005 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 7.6 m -106.92 -66.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -93.29 -12.25 30.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 111.129 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -29.97 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.164 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 0.33 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.109999999999999 110.821 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -107.65 -36.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 54.340000000000003 110.902 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD23 ' OH ' ' A' ' 2' ' ' TYR . 19.9 tp -104.48 -2.57 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.030000000000001 110.898 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -4.22 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.86 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -50.0 -33.89 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.63 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.921 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -86.06 -48.94 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.888 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.818 HG22 ' CE1' ' A' ' 19' ' ' PHE . 22.5 p -49.88 -39.57 40.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.420000000000002 111.146 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -82.62 -30.35 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.762 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -93.44 -90.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.040000000000006 110.884 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -124.72 72.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.109999999999999 110.941 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.818 ' CE1' HG22 ' A' ' 15' ' ' THR . 5.9 t80 -45.97 -42.59 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.847 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 70.019999999999996 110.882 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 70.409999999999997 110.835 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.875 0.369 . . . . 74.230000000000004 110.927 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -120.62 -48.55 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.540000000000006 110.898 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.62 -11.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.340000000000003 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.05 -74.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.128 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.1 m -71.34 -23.72 61.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 111.12 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -28.13 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 43.039999999999999 111.175 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.18 2.26 14.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.849 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.17 -36.35 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.915 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.7 tp -107.05 -2.32 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 72.549999999999997 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.77 -5.59 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.878 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -48.88 -36.01 16.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -63.44 -42.05 98.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.891 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 56.3 mt -77.8 -48.07 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.774 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.67 -36.85 37.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 111.142 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.39 -26.85 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -101.7 -89.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 76.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.948 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.521 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.847 0.356 . . . . 73.219999999999999 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.63 -48.54 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.94 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 71.120000000000005 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.3 m -94.93 -74.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.340000000000003 111.163 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.416 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.2 m -71.28 -23.86 62.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 72.129999999999995 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -28.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 73.129999999999995 111.144 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.39 2.42 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.875 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.23 -36.39 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 62.299999999999997 110.907 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 2' ' ' TYR . 23.0 tp -107.04 -2.32 21.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.883 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.48 -5.32 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.219999999999999 110.889 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -50.28 -35.48 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 71.310000000000002 110.869 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.19 88.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 70.010000000000005 110.905 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 53.1 mt -80.06 -47.97 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.93 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 27.7 p -51.2 -37.41 46.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.467 . . . . 73.150000000000006 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -85.17 -27.03 26.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' HB3' HD23 ' A' ' 18' ' ' LEU . 23.7 mtp180 -100.5 -90.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.519999999999996 110.869 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -123.03 75.81 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 65.430000000000007 110.927 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.849 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.862 0.363 . . . . 73.349999999999994 110.94 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -120.69 -48.57 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 72.239999999999995 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.57 -11.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.1 m -95.01 -74.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 65.430000000000007 111.17 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.7 m -71.38 -23.67 61.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 64.239999999999995 111.151 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -28.22 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.089 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 2.43 14.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.852 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.32 -36.4 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.85 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.9 tp -107.04 -2.33 21.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.68 -5.66 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.129999999999995 110.895 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -49.03 -36.0 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 51.210000000000001 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -63.8 -41.58 97.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.889 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 53.4 mt -77.94 -48.11 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.88 -36.85 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 111.158 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.26 -26.74 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -101.69 -89.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.95 76.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.400000000000006 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.831 0.348 . . . . 75.439999999999998 110.935 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.6 -47.69 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.9 -8.75 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 61.43 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 6' ' ' THR . 4.5 m -98.73 -72.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.075 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 5' ' ' THR . 14.4 m -74.16 -25.77 59.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.519999999999996 111.127 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -26.3 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.540000000000006 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 2.2 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.865 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.42 -30.43 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.12 -8.06 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.329999999999998 110.902 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.22 -5.66 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.931 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -38.72 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 63.450000000000003 110.906 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -47.04 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.109999999999999 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 ' CE1' ' A' ' 11' ' ' PHE . 36.3 mt -73.81 -46.64 44.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.79 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.8 p -48.0 -36.07 12.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 75.030000000000001 111.172 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -92.04 -26.15 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 110.886 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HB3' HD23 ' A' ' 18' ' ' LEU . 81.7 mtt180 -102.05 -88.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 64.150000000000006 110.857 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -123.22 76.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.430000000000007 110.911 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 72.200000000000003 110.934 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -120.65 -48.58 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.61 -11.93 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 72.420000000000002 111.104 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -94.83 -74.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.186 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.3 m -71.33 -23.64 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 54.210000000000001 111.13 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -28.24 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 54.119999999999997 111.117 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.07 2.52 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.030000000000001 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.52 -36.29 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.896 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.566 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.4 tp -107.31 -2.41 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.89 -5.29 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.865 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -48.99 -36.89 18.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.876 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -62.67 -46.89 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 61.310000000000002 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 51.6 mt -71.82 -46.83 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 54.240000000000002 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.1 p -51.86 -36.46 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.140000000000001 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -84.93 -27.79 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.818 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -101.78 -89.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.200000000000003 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.27 76.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.94 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.530000000000001 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.46 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 74.200000000000003 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.615 ' O ' HD13 ' A' ' 4' ' ' ILE . 4.3 mt-10 -110.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.863 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 3' ' ' GLU . 13.3 mm -125.68 12.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.040000000000006 111.099 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -113.84 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 111.131 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 ' HB3' ' A' ' 10' ' ' LEU . 87.8 m -89.01 -17.24 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 60.299999999999997 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.82 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 2.95 18.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.859 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.31 -36.32 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 55.329999999999998 110.894 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' HG22 ' A' ' 6' ' ' THR . 20.8 tp -103.97 -2.99 25.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.903 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.53 -5.71 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.863 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -35.63 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.299999999999997 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 58.4 mt -77.56 -47.51 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 63.140000000000001 110.903 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.1 p -50.85 -37.24 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 61.329999999999998 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.47 -26.61 24.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.5 mtp85 -100.55 -89.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -123.11 75.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 72.510000000000005 110.963 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.030000000000001 110.936 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE1' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 70.340000000000003 110.893 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.41 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 72.510000000000005 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -95.16 -74.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 111.14 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 37.1 m -71.62 -23.6 61.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.141 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -28.11 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 111.145 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.47 0.95 14.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 72.540000000000006 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.41 -36.71 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.3 tp -106.6 -1.18 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.878 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.66 0.57 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.019999999999996 110.86 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -56.81 -34.61 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 63.030000000000001 110.835 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -8.42 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 72.400000000000006 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 11' ' ' PHE . 67.2 mt -102.02 -39.26 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.814 HG22 ' CE1' ' A' ' 19' ' ' PHE . 17.3 p -65.59 -40.66 92.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 54.119999999999997 111.17 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -76.64 -24.18 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.846 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.76 ' HB3' HD23 ' A' ' 18' ' ' LEU . 5.1 mpt_? -96.13 -94.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -124.59 74.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.929 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.0 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 64.030000000000001 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.69 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 5.3 t80 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.888 0.375 . . . . 73.519999999999996 110.96 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -107.44 -58.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.299999999999997 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 4' ' ' ILE . 40.9 mm -126.49 -0.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 70.400000000000006 111.165 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -101.0 -69.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.409999999999997 111.124 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 18.6 m -79.18 -24.65 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.239999999999995 111.169 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -27.95 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 0.45 51.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.839 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -121.18 -28.54 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 60.409999999999997 110.866 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 25.8 tp -101.56 -9.28 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.72 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.24 -5.0 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.892 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -38.1 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.867 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -59.64 -45.09 93.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 87.1 mt -74.99 -47.2 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.509999999999998 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.4 p -49.37 -36.98 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.65 -26.47 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.45 -89.24 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 110.883 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.21 75.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.881 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.869 0.366 . . . . 75.310000000000002 110.966 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 4' ' ' ILE . 24.6 mt-10 -111.41 -66.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 45.310000000000002 110.906 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.1 mm -125.75 16.46 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 111.158 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -117.92 -58.34 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 111.168 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 10' ' ' LEU . 94.9 m -91.94 -16.7 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.154 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -31.29 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.116 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 2.57 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.829 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.19 -36.15 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 6' ' ' THR . 21.2 tp -102.77 -3.25 26.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 110.891 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.5 -5.75 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 110.873 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.66 -36.81 16.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.879 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.13 -46.86 85.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 63.210000000000001 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 58.0 mt -71.7 -46.45 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -52.05 -36.69 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.439999999999998 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -84.74 -27.65 26.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.7 mpt_? -101.28 -89.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.864 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -122.45 76.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.911 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.843 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 10' ' ' LEU . 7.0 t80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 70.340000000000003 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 4' ' ' ILE . 1.8 mt-10 -100.58 -65.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 62.350000000000001 110.861 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.5 mm -126.67 18.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.1 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -119.66 -59.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.539999999999999 111.1 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 31.8 m -94.33 -18.15 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.13 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.735 HD13 ' HB2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -62.45 -31.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.121 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.79 1.56 38.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.903 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.78 -30.22 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.86 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 2' ' ' TYR . 20.6 tp -98.88 -9.05 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 64.129999999999995 110.898 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.77 -5.73 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 60.299999999999997 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -38.89 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.08 -50.0 74.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.219999999999999 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 11' ' ' PHE . 91.2 mt -69.96 -46.13 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 63.119999999999997 110.904 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 33.5 p -49.74 -36.07 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 61.039999999999999 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -27.92 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 110.863 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.12 -89.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.892 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.72 76.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 63.149999999999999 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.462 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.873 0.368 . . . . 72.109999999999999 110.882 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.711 ' HA ' HD12 ' A' ' 7' ' ' ILE . 16.8 pt-20 -120.84 -49.29 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.120000000000005 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 pt -125.44 -8.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.139 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 m -101.41 -76.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 62.409999999999997 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.5 m -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.14 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.27 -28.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 63.409999999999997 111.142 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.48 2.52 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.837 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -109.72 -35.1 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.931 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.9 tp -106.61 -3.35 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.905 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.61 -5.73 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.855 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -48.79 -35.9 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -63.49 -42.49 98.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 59.0 mt -77.34 -48.01 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.92 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.781 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.7 p -50.64 -36.58 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 63.399999999999999 111.163 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -26.56 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -101.85 -89.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.855 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 55.229999999999997 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.482 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 6.6 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.87 0.367 . . . . 71.109999999999999 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.25 -54.9 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 4' ' ' ILE . 44.7 mm -126.1 -2.46 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.420000000000002 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 6' ' ' THR . 4.4 m -103.05 -70.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.147 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 98.2 m -78.51 -23.32 46.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 63.420000000000002 111.16 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -27.13 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 111.112 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 2.02 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -121.21 -29.56 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 33.3 tp -101.94 -8.76 21.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 54.310000000000002 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.52 -5.74 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 110.898 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.97 -44.79 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 11' ' ' PHE . 4.5 tp -77.2 -46.73 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 20.5 p -52.26 -41.29 62.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 62.5 111.086 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -80.5 -27.51 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 72.030000000000001 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -94.66 -94.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.868 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.45 73.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.119999999999997 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 110.929 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.459 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.841 0.353 . . . . 71.140000000000001 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.0 pt-20 -120.73 -49.6 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 110.859 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.46 -8.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.349999999999994 111.088 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -101.15 -76.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.14 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.459 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.4 m -65.62 -28.74 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 64.219999999999999 111.126 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -65.76 -28.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.111 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 1.63 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -108.22 -35.82 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.23 -3.25 21.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.14 3.14 10.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.86 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -26.51 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.873 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 -6.39 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 53.009999999999998 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.19 -48.89 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 65.409999999999997 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -51.59 -37.32 49.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.219999999999999 111.178 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -86.14 -29.22 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 61.439999999999998 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -90.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.894 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.04 74.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 75.430000000000007 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.509999999999998 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 73.400000000000006 110.884 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.85 -50.75 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.540000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.34 -10.72 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.112 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -93.77 -71.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 111.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 52.8 m -71.98 -21.87 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 53.329999999999998 111.112 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -29.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 62.049999999999997 111.089 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.09 2.06 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.109999999999999 110.833 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.95 -35.64 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.099999999999994 110.93 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 tp -109.83 -1.89 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.948 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -122.21 4.05 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.864 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -25.11 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -81.41 -7.05 59.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 65.519999999999996 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.89 -49.37 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 52.149999999999999 110.891 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.808 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.4 p -51.22 -36.72 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 111.125 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.07 -29.47 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.869 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.02 -90.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.856 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 75.11 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.509999999999998 110.921 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.891 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.409 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 3.6 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 75.519999999999996 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.86 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -125.91 -8.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.135 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 15.7 m -92.38 -72.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.25 111.16 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 72.7 m -76.43 -21.46 55.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 55.450000000000003 111.085 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -26.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.168 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 -0.17 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.858 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -105.71 -36.74 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 62.240000000000002 110.871 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -105.36 -0.49 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.922 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -121.22 -6.32 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.200000000000003 110.896 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -38.07 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.439999999999998 110.876 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -59.31 -45.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.099999999999994 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 90.0 mt -75.23 -47.05 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 70.439999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.1 p -49.12 -37.06 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.32 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -88.86 -26.68 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -101.03 -89.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.27 75.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.922 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 71.420000000000002 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.5 pt-20 -121.02 -47.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 70.239999999999995 110.914 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -126.65 -8.69 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 111.162 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 6' ' ' THR . 12.1 m -100.53 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.140000000000001 111.154 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 20.6 m -70.27 -27.42 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.409999999999997 111.156 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.76 -25.58 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 111.145 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.93 0.43 56.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.843 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -120.94 -29.54 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.867 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.51 -9.43 20.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.956 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -123.35 5.5 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 110.878 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.92 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -80.97 -4.59 55.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 64.109999999999999 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 38.7 mt -113.44 -47.23 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.963 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.807 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -52.09 -37.48 54.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.133 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -27.27 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 110.855 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD23 ' A' ' 18' ' ' LEU . 3.8 mpt_? -97.64 -90.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.149999999999999 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -123.04 75.83 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.888 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.5 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 71.400000000000006 110.891 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 62.049999999999997 110.914 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.669 ' O ' HD13 ' A' ' 4' ' ' ILE . 9.7 mt-10 -116.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 64.019999999999996 110.885 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.8 mm -128.31 14.44 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 111.15 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -110.92 -60.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 70.349999999999994 111.126 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.3 p -95.6 -15.63 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.37 -28.52 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 111.151 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.32 5.82 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.853 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -110.67 -35.55 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.841 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 2' ' ' TYR . 22.3 tp -106.54 -3.18 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 75.109999999999999 110.92 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.82 -4.29 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 110.86 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.67 -36.0 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.140000000000001 110.867 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -62.66 -43.59 98.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 57.7 mt -76.73 -48.12 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.768 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.0 p -50.53 -36.53 34.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -87.25 -26.53 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -102.26 -89.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.049999999999997 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.4 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 110.899 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.849 0.357 . . . . 72.540000000000006 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 4' ' ' ILE . 58.1 mt-10 -119.82 -61.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.7 mm -127.94 18.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.094 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 4.6 m -116.43 -59.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -98.55 -12.33 21.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.135 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -28.92 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.120000000000005 111.104 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.87 1.1 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.85 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -110.4 -35.37 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.887 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -104.37 -3.18 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.904 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -7.31 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 61.009999999999998 110.905 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -47.61 -37.23 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -61.49 -44.29 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.93 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 11' ' ' PHE . 5.1 tp -77.15 -46.31 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.906 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.804 HG22 ' CE1' ' A' ' 19' ' ' PHE . 18.7 p -53.8 -41.45 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 71.310000000000002 111.125 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -79.4 -26.76 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.209999999999994 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -95.99 -93.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.38 73.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.109999999999999 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG22 ' A' ' 15' ' ' THR . 9.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.854 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.864 0.364 . . . . 71.019999999999996 110.94 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -120.55 -49.31 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 55.25 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pt -124.51 -5.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.310000000000002 111.112 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 6' ' ' THR . 3.9 m -102.03 -71.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 53.030000000000001 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 5' ' ' THR . 16.0 m -75.98 -25.22 55.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 71.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -26.37 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.156 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.62 2.22 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 72.530000000000001 110.893 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.24 -30.54 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.868 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.09 -7.95 20.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.120000000000005 110.957 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.46 -5.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.821 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -50.44 -38.38 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -58.67 -44.51 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HG ' ' A' ' 18' ' ' LEU . 8.2 mt -76.52 -46.35 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 62.329999999999998 110.921 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.6 p -48.01 -36.0 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 111.17 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.37 -25.75 17.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 55.409999999999997 110.861 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.795 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -99.75 -88.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.887 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -123.82 75.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.455 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.875 0.369 . . . . 72.049999999999997 110.962 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 4' ' ' ILE . 11.4 mm-40 -120.68 -54.09 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 74.319999999999993 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 3' ' ' GLU . 14.8 mm -128.3 8.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.120000000000005 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 7.6 m -106.92 -66.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -93.29 -12.25 30.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 111.129 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -29.97 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.164 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 0.33 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.109999999999999 110.821 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -107.65 -36.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 54.340000000000003 110.902 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD23 ' OH ' ' A' ' 2' ' ' TYR . 19.9 tp -104.48 -2.57 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.030000000000001 110.898 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -4.22 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.86 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -50.0 -33.89 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.63 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.921 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -86.06 -48.94 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.888 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.818 HG22 ' CE1' ' A' ' 19' ' ' PHE . 22.5 p -49.88 -39.57 40.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.420000000000002 111.146 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -82.62 -30.35 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.762 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -93.44 -90.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.040000000000006 110.884 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -124.72 72.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.109999999999999 110.941 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.818 ' CE1' HG22 ' A' ' 15' ' ' THR . 5.9 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.847 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.84 0.353 . . . . 70.109999999999999 110.954 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.41 39.98 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.927 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -120.62 -48.55 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 73.540000000000006 110.898 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.62 -11.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.340000000000003 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.05 -74.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.128 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.1 m -71.34 -23.72 61.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 111.12 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -28.13 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 43.039999999999999 111.175 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.18 2.26 14.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.849 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.17 -36.35 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.915 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.7 tp -107.05 -2.32 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 72.549999999999997 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.77 -5.59 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.878 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -48.88 -36.01 16.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -63.44 -42.05 98.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.891 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 56.3 mt -77.8 -48.07 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.774 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.67 -36.85 37.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 111.142 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.39 -26.85 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -101.7 -89.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 76.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.948 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.35 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -103.65 -29.1 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 62.420000000000002 110.867 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.923 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.786 0.327 . . . . 74.049999999999997 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.521 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.41 40.17 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.876 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.63 -48.54 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.94 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 71.120000000000005 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.3 m -94.93 -74.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.340000000000003 111.163 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.416 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.2 m -71.28 -23.86 62.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 72.129999999999995 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -28.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 73.129999999999995 111.144 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.39 2.42 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.875 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.23 -36.39 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 62.299999999999997 110.907 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 2' ' ' TYR . 23.0 tp -107.04 -2.32 21.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.883 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.48 -5.32 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.219999999999999 110.889 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -50.28 -35.48 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 71.310000000000002 110.869 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.19 88.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 70.010000000000005 110.905 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 21' ' ' ARG . 53.1 mt -80.06 -47.97 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.93 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 27.7 p -51.2 -37.41 46.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.467 . . . . 73.150000000000006 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -85.17 -27.03 26.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' HB3' HD23 ' A' ' 18' ' ' LEU . 23.7 mtp180 -100.5 -90.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.519999999999996 110.869 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -123.03 75.81 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 65.430000000000007 110.927 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 -49.13 -33.34 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -51.88 -37.22 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 72.030000000000001 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.776 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.921 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.33 . . . . 72.219999999999999 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.556 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.46 39.89 3.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 73.349999999999994 110.94 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -120.69 -48.57 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 72.239999999999995 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.57 -11.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 18.1 m -95.01 -74.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 65.430000000000007 111.17 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 2' ' ' TYR . 43.7 m -71.38 -23.67 61.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 64.239999999999995 111.151 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -28.22 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.089 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 2.43 14.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.852 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -108.32 -36.4 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.85 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD23 ' OH ' ' A' ' 2' ' ' TYR . 20.9 tp -107.04 -2.33 21.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.68 -5.66 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.129999999999995 110.895 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -49.03 -36.0 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 51.210000000000001 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -63.8 -41.58 97.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.889 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 53.4 mt -77.94 -48.11 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -50.88 -36.85 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 111.158 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.26 -26.74 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -101.69 -89.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.95 76.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.400000000000006 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.33 -68.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.865 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -74.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 70.25 110.885 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.771 0.32 . . . . 73.430000000000007 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -121.08 34.24 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.439999999999998 110.935 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.6 -47.69 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.9 -8.75 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 61.43 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 6' ' ' THR . 4.5 m -98.73 -72.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.075 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 5' ' ' THR . 14.4 m -74.16 -25.77 59.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.519999999999996 111.127 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -26.3 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.540000000000006 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 2.2 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.865 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.42 -30.43 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.12 -8.06 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.329999999999998 110.902 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.22 -5.66 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.931 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -38.72 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 63.450000000000003 110.906 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -47.04 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.109999999999999 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 ' CE1' ' A' ' 11' ' ' PHE . 36.3 mt -73.81 -46.64 44.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.79 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.8 p -48.0 -36.07 12.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 75.030000000000001 111.172 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -92.04 -26.15 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 110.886 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HB3' HD23 ' A' ' 18' ' ' LEU . 81.7 mtt180 -102.05 -88.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 64.150000000000006 110.857 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -123.22 76.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.430000000000007 110.911 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 -52.87 -27.73 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.835 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -50.95 -31.08 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.010000000000005 110.861 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 74.340000000000003 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.47 39.77 3.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 72.200000000000003 110.934 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -120.65 -48.58 2.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.61 -11.93 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 72.420000000000002 111.104 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -94.83 -74.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.186 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' CE1' ' A' ' 2' ' ' TYR . 45.3 m -71.33 -23.64 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 54.210000000000001 111.13 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -28.24 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 54.119999999999997 111.117 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.07 2.52 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.030000000000001 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.52 -36.29 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.896 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.4 tp -107.31 -2.41 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.89 -5.29 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.865 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -48.99 -36.89 18.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.876 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -62.67 -46.89 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 61.310000000000002 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 51.6 mt -71.82 -46.83 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 54.240000000000002 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.1 p -51.86 -36.46 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.140000000000001 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -84.93 -27.79 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.818 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -101.78 -89.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.200000000000003 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.27 76.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.94 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 -48.52 -68.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.530000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -26.56 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.859 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 64.519999999999996 110.841 -179.864 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 54.32 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.46 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -117.67 39.0 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.919 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.615 ' O ' HD13 ' A' ' 4' ' ' ILE . 4.3 mt-10 -110.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.863 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 3' ' ' GLU . 13.3 mm -125.68 12.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.040000000000006 111.099 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -113.84 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 111.131 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.477 HG22 ' HB3' ' A' ' 10' ' ' LEU . 87.8 m -89.01 -17.24 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 60.299999999999997 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.82 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 2.95 18.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.859 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.31 -36.32 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 55.329999999999998 110.894 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' HG22 ' A' ' 6' ' ' THR . 20.8 tp -103.97 -2.99 25.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.903 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.53 -5.71 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.863 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -35.63 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.299999999999997 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.67 HD13 ' C ' ' A' ' 21' ' ' ARG . 58.4 mt -77.56 -47.51 19.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 63.140000000000001 110.903 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.1 p -50.85 -37.24 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 61.329999999999998 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.47 -26.61 24.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.5 mtp85 -100.55 -89.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -123.11 75.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 72.510000000000005 110.963 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.6 t80 -49.96 -33.16 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.030000000000001 110.936 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.89 -34.76 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 74.430000000000007 110.871 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.697 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.019999999999996 110.891 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 74.439999999999998 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE1' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -120.23 40.37 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 70.340000000000003 110.893 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.41 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 72.510000000000005 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -124.63 -11.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -95.16 -74.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 111.14 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 2' ' ' TYR . 37.1 m -71.62 -23.6 61.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.141 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -28.11 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 111.145 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.47 0.95 14.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 72.540000000000006 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.41 -36.71 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' OH ' ' A' ' 2' ' ' TYR . 21.3 tp -106.6 -1.18 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.878 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.66 0.57 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.019999999999996 110.86 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -56.81 -34.61 67.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 63.030000000000001 110.835 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -8.42 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 72.400000000000006 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' CD ' ' A' ' 21' ' ' ARG . 67.2 mt -102.02 -39.26 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.814 HG22 ' CE1' ' A' ' 19' ' ' PHE . 17.3 p -65.59 -40.66 92.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 54.119999999999997 111.17 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -76.64 -24.18 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.846 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.76 ' HB3' HD23 ' A' ' 18' ' ' LEU . 5.1 mpt_? -96.13 -94.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -124.59 74.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.929 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.0 t80 -51.24 -27.58 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 64.030000000000001 110.907 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -31.95 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 71.430000000000007 110.882 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.594 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.7 mttm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.836 0.351 . . . . 72.420000000000002 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.69 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 5.3 t80 -115.02 30.54 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.96 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -107.44 -58.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.299999999999997 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 4' ' ' ILE . 40.9 mm -126.49 -0.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 70.400000000000006 111.165 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -101.0 -69.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.409999999999997 111.124 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 18.6 m -79.18 -24.65 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.239999999999995 111.169 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -27.95 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 0.45 51.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.839 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -121.18 -28.54 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 60.409999999999997 110.866 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 25.8 tp -101.56 -9.28 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.72 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.24 -5.0 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.892 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -38.1 38.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.867 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -59.64 -45.09 93.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 87.1 mt -74.99 -47.2 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.509999999999998 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.4 p -49.37 -36.98 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.65 -26.47 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.45 -89.24 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 110.883 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.21 75.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.3 t80 -50.39 -68.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.881 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -117.42 -32.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 74.150000000000006 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.030000000000001 110.885 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.77 0.319 . . . . 73.349999999999994 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.18 41.64 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.310000000000002 110.966 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.589 ' O ' HD13 ' A' ' 4' ' ' ILE . 24.6 mt-10 -111.41 -66.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 45.310000000000002 110.906 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.1 mm -125.75 16.46 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 111.158 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 3.1 m -117.92 -58.34 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 111.168 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 10' ' ' LEU . 94.9 m -91.94 -16.7 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.154 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -31.29 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.116 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 2.57 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.829 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -108.19 -36.15 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 6' ' ' THR . 21.2 tp -102.77 -3.25 26.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 110.891 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.5 -5.75 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.400000000000006 110.873 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.66 -36.81 16.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.879 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.13 -46.86 85.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 63.210000000000001 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 58.0 mt -71.7 -46.45 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.77 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -52.05 -36.69 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.439999999999998 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -84.74 -27.65 26.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HB3' HD23 ' A' ' 18' ' ' LEU . 8.7 mpt_? -101.28 -89.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.864 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -122.45 76.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.911 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 -48.79 -68.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.843 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 -32.64 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 72.219999999999999 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.519999999999996 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.464 ' HG2' HG21 ' A' ' 5' ' ' THR . 1.4 mptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.797 0.332 . . . . 63.310000000000002 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 10' ' ' LEU . 7.0 t80 -113.23 22.38 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 70.340000000000003 110.922 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 4' ' ' ILE . 1.8 mt-10 -100.58 -65.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 62.350000000000001 110.861 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.5 mm -126.67 18.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.1 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 1' ' ' LYS . 1.8 m -119.66 -59.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.539999999999999 111.1 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 31.8 m -94.33 -18.15 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.13 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.735 HD13 ' HB2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -62.45 -31.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.121 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.79 1.56 38.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.903 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.78 -30.22 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.86 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 2' ' ' TYR . 20.6 tp -98.88 -9.05 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 64.129999999999995 110.898 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.77 -5.73 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 60.299999999999997 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -38.89 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.08 -50.0 74.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.219999999999999 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 11' ' ' PHE . 91.2 mt -69.96 -46.13 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 63.119999999999997 110.904 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 19' ' ' PHE . 33.5 p -49.74 -36.07 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 61.039999999999999 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -27.92 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 110.863 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.12 -89.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.892 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.72 76.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 63.149999999999999 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.773 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.4 t80 -49.56 -32.95 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.88 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -119.77 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.140000000000001 110.911 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 pttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 73.409999999999997 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.462 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.78 41.45 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.882 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.711 ' HA ' HD12 ' A' ' 7' ' ' ILE . 16.8 pt-20 -120.84 -49.29 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.120000000000005 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 pt -125.44 -8.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.139 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 m -101.41 -76.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 62.409999999999997 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.5 m -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.14 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.27 -28.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 63.409999999999997 111.142 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.48 2.52 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.837 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -109.72 -35.1 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.931 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.9 tp -106.61 -3.35 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.905 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.61 -5.73 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.855 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -48.79 -35.9 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -63.49 -42.49 98.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 59.0 mt -77.34 -48.01 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.92 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.781 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.7 p -50.64 -36.58 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 63.399999999999999 111.163 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -26.56 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -101.85 -89.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.855 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 55.229999999999997 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.91 -40.43 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.11 -35.12 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 110.842 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 110.875 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 mttp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 74.030000000000001 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.482 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 6.6 t80 -120.22 41.82 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 71.109999999999999 110.924 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.25 -54.9 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 4' ' ' ILE . 44.7 mm -126.1 -2.46 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.420000000000002 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 6' ' ' THR . 4.4 m -103.05 -70.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.147 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 98.2 m -78.51 -23.32 46.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 63.420000000000002 111.16 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -27.13 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 111.112 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 2.02 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -121.21 -29.56 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' CZ ' ' A' ' 2' ' ' TYR . 33.3 tp -101.94 -8.76 21.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 54.310000000000002 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -122.52 -5.74 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 110.898 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.97 -44.79 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 11' ' ' PHE . 4.5 tp -77.2 -46.73 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.893 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' CE1' ' A' ' 19' ' ' PHE . 20.5 p -52.26 -41.29 62.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 62.5 111.086 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -80.5 -27.51 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 72.030000000000001 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -94.66 -94.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.868 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.45 73.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.119999999999997 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE1' HG22 ' A' ' 15' ' ' THR . 11.2 t80 -46.29 -68.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 110.929 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.19 -27.14 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 64.409999999999997 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 75.040000000000006 110.872 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.832 0.349 . . . . 74.450000000000003 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.459 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -119.14 41.77 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 71.140000000000001 110.934 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.0 pt-20 -120.73 -49.6 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 110.859 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pt -125.46 -8.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.349999999999994 111.088 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -101.15 -76.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.14 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 9.4 m -65.62 -28.74 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 64.219999999999999 111.126 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -65.76 -28.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.111 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 1.63 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -108.22 -35.82 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.23 -3.25 21.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -121.14 3.14 10.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.86 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -26.51 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.873 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 -6.39 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 53.009999999999998 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.19 -48.89 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 65.409999999999997 110.917 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.5 p -51.59 -37.32 49.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.219999999999999 111.178 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -86.14 -29.22 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 61.439999999999998 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -90.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.894 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.04 74.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 75.430000000000007 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.9 t80 -49.16 -68.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.509999999999998 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -108.09 -31.05 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 70.319999999999993 110.907 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.3 mttm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 71.219999999999999 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -120.37 42.34 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.400000000000006 110.884 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.85 -50.75 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.540000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.34 -10.72 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.112 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -93.77 -71.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 111.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 52.8 m -71.98 -21.87 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 53.329999999999998 111.112 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -29.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 62.049999999999997 111.089 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.09 2.06 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.109999999999999 110.833 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.95 -35.64 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.099999999999994 110.93 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 tp -109.83 -1.89 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.948 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -122.21 4.05 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.864 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -25.11 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -81.41 -7.05 59.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 65.519999999999996 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.89 -49.37 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 52.149999999999999 110.891 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.808 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.4 p -51.22 -36.72 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.140000000000001 111.125 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.07 -29.47 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.869 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.02 -90.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.856 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 75.11 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.509999999999998 110.921 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 -49.27 -68.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.891 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.05 -31.42 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 110.874 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 70.310000000000002 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.409 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 3.6 t80 -120.04 31.74 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 110.923 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.86 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.1 tt -125.91 -8.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.135 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 15.7 m -92.38 -72.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.25 111.16 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 72.7 m -76.43 -21.46 55.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 55.450000000000003 111.085 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -26.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.168 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 -0.17 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.858 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -105.71 -36.74 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 62.240000000000002 110.871 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -105.36 -0.49 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.922 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -121.22 -6.32 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.200000000000003 110.896 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -38.07 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.439999999999998 110.876 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -59.31 -45.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.099999999999994 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 90.0 mt -75.23 -47.05 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 70.439999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.783 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.1 p -49.12 -37.06 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.32 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -88.86 -26.68 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -101.03 -89.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.27 75.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.922 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.2 t80 -50.49 -68.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.898 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.75 -27.84 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 70.239999999999995 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 55.119999999999997 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HA ' ' HB ' ' A' ' 6' ' ' THR . 2.0 t80 -119.94 36.95 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.892 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 7' ' ' ILE . 9.5 pt-20 -121.02 -47.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 70.239999999999995 110.914 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.0 tt -126.65 -8.69 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 111.162 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 6' ' ' THR . 12.1 m -100.53 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.140000000000001 111.154 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 2' ' ' TYR . 20.6 m -70.27 -27.42 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 62.409999999999997 111.156 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -66.76 -25.58 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 111.145 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.93 0.43 56.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.843 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -120.94 -29.54 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.867 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.51 -9.43 20.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.956 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -123.35 5.5 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 110.878 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.92 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -80.97 -4.59 55.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 64.109999999999999 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 21' ' ' ARG . 38.7 mt -113.44 -47.23 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.963 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.807 HG22 ' CE1' ' A' ' 19' ' ' PHE . 29.5 p -52.09 -37.48 54.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.133 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -27.27 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 110.855 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD23 ' A' ' 18' ' ' LEU . 3.8 mpt_? -97.64 -90.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.149999999999999 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -123.04 75.83 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.888 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HG22 ' A' ' 15' ' ' THR . 6.5 t80 -54.04 -25.99 24.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 71.400000000000006 110.891 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.57 29.21 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 74.239999999999995 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.77 0.319 . . . . 72.420000000000002 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.5 42.82 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 62.049999999999997 110.914 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.669 ' O ' HD13 ' A' ' 4' ' ' ILE . 9.7 mt-10 -116.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 64.019999999999996 110.885 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 3' ' ' GLU . 12.8 mm -128.31 14.44 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 70.010000000000005 111.15 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -110.92 -60.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 70.349999999999994 111.126 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 1' ' ' LYS . 24.3 p -95.6 -15.63 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.169 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.37 -28.52 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 111.151 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.32 5.82 29.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.853 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -110.67 -35.55 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.841 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 2' ' ' TYR . 22.3 tp -106.54 -3.18 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 75.109999999999999 110.92 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.82 -4.29 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 110.86 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.67 -36.0 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.140000000000001 110.867 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -62.66 -43.59 98.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 57.7 mt -76.73 -48.12 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.96 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.768 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.0 p -50.53 -36.53 34.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -87.25 -26.53 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -102.26 -89.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.049999999999997 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 76.4 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 110.899 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.0 t80 -49.88 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.859 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -116.25 -29.06 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 62.219999999999999 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 73.540000000000006 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 74.519999999999996 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 44.32 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.919 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 4' ' ' ILE . 58.1 mt-10 -119.82 -61.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 3' ' ' GLU . 11.7 mm -127.94 18.36 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.094 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 4.6 m -116.43 -59.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -98.55 -12.33 21.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.135 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -28.92 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.120000000000005 111.104 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.87 1.1 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.85 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -110.4 -35.37 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.887 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 tp -104.37 -3.18 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.904 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -7.31 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 61.009999999999998 110.905 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -47.61 -37.23 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -61.49 -44.29 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.93 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 11' ' ' PHE . 5.1 tp -77.15 -46.31 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.906 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.804 HG22 ' CE1' ' A' ' 19' ' ' PHE . 18.7 p -53.8 -41.45 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 71.310000000000002 111.125 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -79.4 -26.76 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.209999999999994 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -95.99 -93.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.38 73.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.109999999999999 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG22 ' A' ' 15' ' ' THR . 9.2 t80 -46.93 -68.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.854 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -28.16 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 71.209999999999994 110.881 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.907 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.829 0.347 . . . . 72.349999999999994 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -120.84 34.32 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.94 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -120.55 -49.31 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 55.25 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pt -124.51 -5.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.310000000000002 111.112 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 6' ' ' THR . 3.9 m -102.03 -71.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 53.030000000000001 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 5' ' ' THR . 16.0 m -75.98 -25.22 55.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 71.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -26.37 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.156 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.62 2.22 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 72.530000000000001 110.893 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.24 -30.54 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.868 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -103.09 -7.95 20.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.120000000000005 110.957 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.46 -5.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.821 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -50.44 -38.38 43.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -58.67 -44.51 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HG ' ' A' ' 18' ' ' LEU . 8.2 mt -76.52 -46.35 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 62.329999999999998 110.921 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CE1' ' A' ' 19' ' ' PHE . 32.6 p -48.01 -36.0 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 111.17 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.37 -25.75 17.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 55.409999999999997 110.861 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.795 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -99.75 -88.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.887 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -123.82 75.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CE1' HG22 ' A' ' 15' ' ' THR . 7.7 t80 -56.67 -21.45 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.863 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -49.68 -36.69 25.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.848 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 110.899 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 75.420000000000002 110.92 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.455 ' OH ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -121.11 38.3 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 72.049999999999997 110.962 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 4' ' ' ILE . 11.4 mm-40 -120.68 -54.09 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.503 . . . . 74.319999999999993 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 3' ' ' GLU . 14.8 mm -128.3 8.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.120000000000005 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 7.6 m -106.92 -66.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -93.29 -12.25 30.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 111.129 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -29.97 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.164 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 0.33 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.109999999999999 110.821 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -107.65 -36.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 54.340000000000003 110.902 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD23 ' OH ' ' A' ' 2' ' ' TYR . 19.9 tp -104.48 -2.57 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.030000000000001 110.898 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -120.66 -4.22 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.86 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -50.0 -33.89 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.63 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.921 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -86.06 -48.94 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.888 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.818 HG22 ' CE1' ' A' ' 19' ' ' PHE . 22.5 p -49.88 -39.57 40.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.420000000000002 111.146 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -82.62 -30.35 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.762 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -93.44 -90.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.040000000000006 110.884 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -124.72 72.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.109999999999999 110.941 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.818 ' CE1' HG22 ' A' ' 15' ' ' THR . 5.9 t80 -45.97 -42.59 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.847 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 70.019999999999996 110.882 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 70.409999999999997 110.835 -179.892 . . . . . . . . 0 0 . 1 stop_ save_