data_2nat_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 2nat _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.0 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 75.11 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.417 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 9.5 t80 -115.67 -24.51 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.935 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 6.0 mm-40 -42.54 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.577 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.9 tt -134.05 -31.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.135 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -42.36 -34.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.14 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.87 -23.04 6.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.132 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.78 -39.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 73.5 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.76 -25.2 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.859 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -83.15 -35.18 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 75.12 110.864 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -24.08 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.909 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -43.47 121.8 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.892 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -58.03 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.893 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -103.9 -88.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -122.13 -90.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.1 110.928 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.468 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.9 m -130.67 -59.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 63.14 111.114 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -127.3 10.67 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.857 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.894 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -125.48 50.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' GLY . 29.7 m-85 -96.85 16.82 18.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.69 0.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -57.58 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.873 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.82 -53.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.856 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 13.2 p90 -100.21 96.52 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 72.05 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -49.27 -91.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.43 112.519 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.13 98.6 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.422 . . . . 74.1 110.911 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 71.51 111.138 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -27.98 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.937 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.845 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.309 . . . . 75.51 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.417 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 8.9 t80 -116.44 -24.49 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.894 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 33.5 mt-10 -42.46 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.875 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.567 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.95 -31.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.14 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -42.35 -34.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.89 -23.05 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.137 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.567 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.74 -39.58 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.43 -25.21 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.875 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.21 -35.13 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 64.55 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -21.54 28.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.927 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -44.06 122.81 3.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.855 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.05 -65.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 73.42 110.86 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.5 tptp -103.61 -82.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.14 -90.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.949 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.458 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.6 m -131.01 -57.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.16 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.29 12.4 6.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.839 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.884 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -125.86 48.78 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' A' ' 24' ' ' GLY . 32.9 m-85 -95.26 16.47 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.904 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.56 0.41 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.02 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -71.62 -58.93 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.55 -51.74 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.15 110.865 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -96.92 95.93 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -47.9 -91.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 72.14 112.5 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.11 99.17 4.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.398 . . . . 74.14 110.938 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -12.74 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.158 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -28.28 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.897 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.871 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 71.22 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.446 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 12.7 t80 -120.12 -21.58 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.12 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -44.47 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.929 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.55 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.1 tt -134.82 -33.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 74.41 111.145 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -41.57 -34.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.05 -24.12 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 63.22 111.149 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.55 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.3 tp -52.43 -40.2 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 71.24 111.078 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -50.73 -25.4 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.844 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.68 -35.33 24.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.862 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.64 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.889 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -43.63 121.96 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 62.41 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -61.28 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.856 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -101.8 -87.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.877 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.56 -90.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 61.34 110.899 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.464 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 m -130.9 -58.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.177 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.58 10.99 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.842 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.886 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.95 49.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.936 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' O ' ' A' ' 24' ' ' GLY . 25.2 m-85 -96.05 17.21 15.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.55 0.45 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.843 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -57.66 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.872 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -121.92 -52.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -100.09 95.68 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -48.71 -91.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 62.14 112.485 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.08 98.28 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.53 110.921 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.56 -8.22 59.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.45 111.156 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -22.98 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 71.33 110.898 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.865 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 75.51 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -117.5 -25.05 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 74.33 110.958 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mt-10 -42.13 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 70.22 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.551 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.57 -32.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 71.5 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -42.14 -34.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 63.34 111.102 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.7 -23.71 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.113 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.551 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.47 -40.17 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.114 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.436 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.2 -26.25 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 63.22 110.865 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -35.17 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -20.44 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.921 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -46.67 123.18 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.2 110.917 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -67.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -79.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.914 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -112.51 -94.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 72.15 110.922 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.414 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.2 m -133.9 -51.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 64.51 111.134 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -124.26 5.06 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 75.35 110.864 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -125.41 57.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.907 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' C ' ' A' ' 15' ' ' THR . 6.3 m-85 -117.1 23.0 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.895 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -37.11 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -46.76 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.865 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -126.73 35.4 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -114.3 103.83 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -71.64 77.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.11 112.464 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -11.9 83.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 74.34 110.909 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 7.3 t -74.96 -23.75 58.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 0.66 47.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.958 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.825 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.314 . . . . 74.52 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' A' ' 7' ' ' ILE . 63.6 t80 -76.23 68.32 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.894 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 76.5 mt-10 -115.18 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' ' C ' ' A' ' 5' ' ' THR . 1.4 tt -138.18 -37.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.23 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.8 t -29.7 -49.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.157 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -123.07 -12.46 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 74.3 111.145 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -54.36 -38.86 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.155 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.422 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -55.79 -27.07 49.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.51 110.869 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.46 -35.5 73.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.849 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -23.59 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.93 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 1.4 m-30 -44.33 123.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.863 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -44.03 -72.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.43 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -107.09 -77.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.903 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -112.39 -99.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 64.1 110.923 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.494 ' C ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 m -137.09 -40.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.145 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -129.52 23.99 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.848 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 87.1 mtt180 -80.15 -74.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 16.5 tp -93.82 12.36 26.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.924 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CD2' ' C ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -99.82 13.84 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.888 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -128.41 10.31 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.857 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -98.73 -60.39 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.826 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.95 -65.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 21.8 p90 -87.27 91.77 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 74.41 110.861 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.17 -88.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 65.4 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.75 95.53 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 74.43 110.877 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -76.55 -18.08 58.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.5 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.25 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 72.01 110.913 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.9 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.9 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 74.22 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.415 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 10.4 t80 -116.15 -24.78 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.895 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 8.4 mm-40 -42.43 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.23 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.566 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.99 -31.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.148 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -42.19 -34.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.02 -23.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.156 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.58 -40.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.21 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.75 -25.61 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.864 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -35.51 34.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.41 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -25.05 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 70.3 110.9 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HD1' ' HA ' ' A' ' 11' ' ' PHE . 1.1 m-30 -43.18 123.38 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.852 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -44.47 -63.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.892 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -112.29 -81.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.893 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -110.63 -97.53 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.951 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.468 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.1 m -134.69 -48.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.15 111.104 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 18.27 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.891 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -124.94 28.35 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.89 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.9 m-85 -83.98 9.61 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.55 110.894 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -124.83 7.05 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.22 110.904 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -83.8 -54.21 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.1 -60.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -89.69 95.9 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.834 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -44.41 -90.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 62.34 112.473 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 97.31 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 74.32 110.946 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -10.43 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 74.5 111.138 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -18.05 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 70.54 110.926 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.874 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 73.4 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.413 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 5.8 t80 -117.13 -25.4 7.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 3.3 mm-40 -41.42 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.35 -33.18 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 70.23 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -40.67 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.45 111.129 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 -24.27 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.2 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.538 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.2 tp -51.57 -39.54 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.17 -25.29 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.823 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.04 -33.77 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -87.69 -17.23 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' HD1' ' HA ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -45.37 110.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.917 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -47.99 -61.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.851 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.9 tptp -110.47 -81.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.897 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.96 -84.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 60.52 110.916 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 m -130.02 -64.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.133 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.21 8.31 6.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 62.24 110.864 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.48 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.883 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.7 55.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.95 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CE1' ' C ' ' A' ' 15' ' ' THR . 24.4 m-85 -101.12 22.14 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.911 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 1.58 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.877 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -70.71 -61.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.936 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -113.18 -38.15 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.6 96.41 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.54 110.917 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.09 -87.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.819 -0.705 . . . . 75.11 112.427 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -138.83 55.73 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 75.04 110.981 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -47.99 -26.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.23 111.171 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 19' ' ' PHE . 4.7 mt -50.6 -31.11 14.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.928 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.779 0.323 . . . . 74.25 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.426 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 5.7 t80 -119.48 -23.92 6.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 83.3 mt-10 -42.12 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.908 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.512 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.2 tt -133.55 -32.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -41.77 -34.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.17 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.71 -24.31 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.189 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' HB ' ' O ' ' A' ' 3' ' ' GLU . 1.2 tp -52.0 -38.92 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.094 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -55.41 -24.89 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.823 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -86.73 -33.63 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -89.52 -16.47 30.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.909 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -44.56 112.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.22 110.882 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -48.24 -64.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.897 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 5.0 tptt -102.7 -87.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -119.61 -83.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.04 110.914 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.496 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.3 m -128.84 -64.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.2 9.73 6.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -43.36 -79.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.15 56.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CE1' ' C ' ' A' ' 15' ' ' THR . 36.2 m-85 -100.14 25.06 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.918 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -130.97 -7.76 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -60.57 -64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.834 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.61 -47.11 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.855 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -87.37 94.51 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.17 -90.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 74.55 112.451 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.3 55.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 72.32 110.974 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -14.43 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 75.03 111.112 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -24.83 60.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.87 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.816 0.341 . . . . 74.12 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.41 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 3.5 t80 -116.93 -22.31 8.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.03 110.893 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.52 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 71.0 mt-10 -42.07 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.56 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.7 tt -133.9 -31.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 75.13 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 t -42.6 -33.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.08 -22.49 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 72.15 111.148 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.82 -40.12 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.1 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -53.84 -23.41 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.54 110.85 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.09 -32.12 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 74.44 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 tp -84.53 -25.59 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 65.52 110.955 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -39.02 110.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 74.01 110.919 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 4.0 mmt180 -52.1 -52.68 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 73.22 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -110.38 -87.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.896 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -115.94 -86.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.87 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.495 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.7 m -130.12 -67.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.413 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.14 9.96 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.854 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -38.44 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.43 53.29 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.495 ' CE2' ' C ' ' A' ' 15' ' ' THR . 21.5 m-85 -89.63 21.8 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.867 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -3.44 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -68.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.874 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.65 -33.76 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.02 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -103.36 97.33 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.851 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.06 -89.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 75.11 112.525 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.95 59.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 74.53 110.939 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -50.74 -26.14 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.174 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.89 -32.67 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.931 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.89 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 73.11 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -119.38 -26.98 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.955 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.3 mm-40 -40.14 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.533 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.22 -29.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.102 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -41.52 -35.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.134 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -121.93 -22.87 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 71.51 111.142 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.533 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.4 -39.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 65.12 111.137 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -54.31 -22.68 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 70.32 110.854 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.17 -30.94 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.54 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -23.28 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.916 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.08 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.878 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -52.65 -40.73 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 74.34 110.888 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' CD ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.35 -93.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.925 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -112.17 -87.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.4 110.951 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.498 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.4 m -129.06 -70.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.21 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.04 13.34 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.35 110.83 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HG ' ' CD ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -131.16 51.61 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 71.4 110.908 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' C ' ' A' ' 15' ' ' THR . 29.1 m-85 -86.8 25.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.821 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.25 -8.47 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -61.39 -68.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.899 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.25 -37.75 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.64 97.02 8.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.88 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -25.72 -90.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 73.05 112.492 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.13 54.96 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 72.24 110.944 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -49.71 -28.17 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.35 111.151 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.64 -34.91 76.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.946 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.914 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.4 pttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 75.11 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.415 ' CE1' HD13 ' A' ' 7' ' ' ILE . 83.6 t80 -120.71 -8.05 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.914 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 18.5 mm-40 -45.89 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.85 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.61 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 tt -128.16 -20.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 64.22 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' ILE . 34.8 p -27.33 -52.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.35 111.139 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -128.91 -5.03 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.11 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.61 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.8 tp -52.53 -39.36 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.07 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.9 -26.73 26.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.852 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -80.69 -30.09 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.21 110.835 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.79 -16.88 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.901 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' CD2' ' HA ' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -46.26 116.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -59.46 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.3 110.858 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -92.83 -91.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.897 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -120.23 -85.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.32 110.935 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.0 m -128.35 -64.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.164 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.7 9.76 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.8 57.54 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 45.0 m-85 -102.75 5.17 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 23.13 5.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 74.1 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -102.1 -45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.878 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -120.26 -25.84 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.03 110.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.654 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -108.96 123.29 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.03 110.863 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.39 85.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 72.11 112.507 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 24' ' ' GLY . 5.2 t80 -13.93 85.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 73.24 110.916 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 8.0 t -66.85 -22.67 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.088 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -78.37 -8.99 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.907 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.842 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 64.45 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 6.8 t80 -116.99 -23.52 7.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -42.4 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.87 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.543 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.26 -33.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -40.56 -37.5 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.5 111.143 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.38 -24.66 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 70.11 111.147 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.2 tp -51.33 -40.25 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.128 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.49 -25.79 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.844 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.04 -34.52 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -86.41 -18.6 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.886 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -45.65 115.21 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.85 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -65.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.864 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -82.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.891 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -114.23 -91.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.941 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.467 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 m -132.21 -56.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.193 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -126.22 3.42 7.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.843 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -44.07 -74.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.0 tp -126.38 63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.916 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' C ' ' A' ' 15' ' ' THR . 15.4 m-85 -117.77 12.83 14.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.08 24.85 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.86 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -109.03 -61.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.928 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.4 -26.76 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.662 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.63 100.82 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.34 110.87 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.43 -90.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 73.34 112.516 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -141.6 61.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 75.41 110.929 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -57.81 -18.34 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 64.25 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -63.66 -18.27 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.926 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.83 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.801 0.334 . . . . 74.54 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 7.9 t80 -116.07 -24.21 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 72.35 110.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.523 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 59.2 mt-10 -42.35 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 71.25 110.91 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.77 -31.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.21 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 t -42.3 -34.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 72.3 111.151 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -23.5 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.03 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.51 -40.55 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.42 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.441 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -51.91 -25.51 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.874 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -82.67 -33.58 27.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -20.85 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -44.98 107.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.882 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.89 -50.87 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 74.42 110.871 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 2.7 tttp -93.28 -96.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.45 -86.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.905 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 m -127.07 -68.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 75.14 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.19 14.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 74.02 110.87 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 64.31 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.15 49.2 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.866 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.499 ' CE2' ' C ' ' A' ' 15' ' ' THR . 66.9 m-85 -87.03 -4.71 59.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.35 20.74 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -96.83 -45.14 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.93 -22.82 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.839 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -109.41 123.37 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.884 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.65 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -45.76 88.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 65.31 112.48 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.65 ' C ' ' O ' ' A' ' 24' ' ' GLY . 45.7 t80 -11.8 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 74.21 110.942 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' GLY . 6.7 t -85.74 -15.37 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.21 111.135 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.35 -20.11 17.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.737 0.303 . . . . 73.4 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -114.53 39.27 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.936 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.5 mt-10 -77.47 -81.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 73.55 110.885 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -137.59 -38.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.138 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -46.03 -31.44 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 62.41 111.166 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -21.86 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.166 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.672 HG22 ' CE1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.96 -44.74 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.136 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.505 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.96 -27.95 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.858 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.83 -32.02 72.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -22.67 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CE1' HG22 ' A' ' 7' ' ' ILE . 2.0 m-30 -38.56 118.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 65.01 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.03 -70.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.884 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.2 tptt -94.91 -97.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 64.23 110.879 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -107.67 -86.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.935 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.9 m -128.14 -59.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.02 111.119 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.69 7.79 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.864 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.35 56.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' C ' ' A' ' 15' ' ' THR . 31.6 m-85 -99.21 28.22 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -132.28 -15.31 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.33 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -54.36 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.82 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.79 -44.21 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -90.78 98.05 11.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.917 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.16 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 74.15 112.465 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.78 55.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 74.3 110.909 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -50.72 -23.93 3.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 19' ' ' PHE . 73.8 mt -49.98 -26.04 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.934 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.832 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.407 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 8.1 t80 -117.67 -24.53 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.514 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -42.0 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.909 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.7 tt -133.33 -31.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.35 111.145 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -42.39 -34.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 71.14 111.141 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.33 -24.03 6.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.23 111.135 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.531 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.3 tp -51.04 -41.33 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 74.22 111.144 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.452 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.98 -26.67 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.884 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.4 -34.08 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.52 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -22.72 24.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.899 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 1.5 m-30 -43.38 120.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.51 110.891 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -56.42 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.87 -96.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.843 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.65 -85.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.959 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.521 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 3.3 m -127.25 -64.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.51 111.151 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.78 5.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.868 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.04 110.847 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -126.09 52.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 72.9 m-85 -91.23 -1.98 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.889 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 30.32 5.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -118.95 -39.09 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.879 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.89 -33.26 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.695 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.89 124.62 45.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.9 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.31 88.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 75.42 112.485 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' C ' ' O ' ' A' ' 24' ' ' GLY . 21.8 t80 -16.38 88.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 73.01 110.882 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -95.21 -8.22 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.12 111.149 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.98 -26.83 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.881 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 74.02 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 10.6 t80 -116.32 -27.38 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 72.11 110.925 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 41.9 mt-10 -42.12 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.535 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.48 -31.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.45 111.169 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -39.24 -37.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 64.2 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -120.07 -23.97 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.139 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.2 tp -51.42 -39.54 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 73.12 111.118 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.41 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -51.14 -24.65 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 72.2 110.865 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.36 -36.52 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.33 -18.54 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.903 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 7' ' ' ILE . 1.2 m-30 -31.3 108.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.9 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 10.3 tpt180 -61.4 -71.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tptm -78.35 -123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.933 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -82.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.894 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.527 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 m -125.7 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 73.12 111.143 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 16.64 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -49.44 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.24 48.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.893 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.715 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 85.4 m-85 -88.85 -3.53 58.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.89 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -128.93 29.75 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.855 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -116.83 -40.78 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.876 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.48 -31.69 6.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 62.4 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.715 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.84 124.88 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.873 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.28 87.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 41.11 112.458 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' C ' ' O ' ' A' ' 24' ' ' GLY . 15.0 t80 -16.12 88.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 72.35 110.974 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -92.17 -8.69 44.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 75.44 111.108 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.71 -23.05 5.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.911 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.853 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 71.33 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 3' ' ' GLU . 1.9 t80 -62.68 -16.96 59.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.21 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.1 pt-20 -30.28 137.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 74.01 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.6 tt -24.41 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.54 111.132 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -37.61 -37.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 74.52 111.126 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.04 -16.61 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 64.22 111.157 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.536 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -56.84 -32.65 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.35 111.138 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.16 62.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 63.4 110.854 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -62.6 -22.48 66.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -101.36 -19.92 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.03 110.913 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 7' ' ' ILE . 3.1 m-30 -40.35 115.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.32 -74.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.905 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.2 tptt -81.78 -106.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 62.14 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.53 -89.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.518 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.5 m -127.65 -56.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.124 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.49 10.55 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.886 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.85 52.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.908 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CE1' ' C ' ' A' ' 15' ' ' THR . 56.7 m-85 -95.51 21.44 8.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -0.55 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.4 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -33.39 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 71.2 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -107.32 97.41 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 71.13 110.882 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.53 -88.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 74.43 112.457 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.0 56.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 74.43 110.931 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 t -53.86 -23.07 11.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 75.43 111.144 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.03 -21.7 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.3 110.919 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.899 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 pttt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.776 0.322 . . . . 74.42 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 10.9 t80 -119.13 -24.65 6.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 73.43 110.942 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 30.2 mt-10 -42.59 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.9 tt -133.24 -32.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.44 111.178 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -41.65 -34.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 74.55 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.33 -23.32 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 75.22 111.156 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 11' ' ' PHE . 1.3 tp -54.76 -38.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.101 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -24.72 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.913 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -73.69 -35.53 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.46 -20.58 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.913 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 7' ' ' ILE . 1.8 m-30 -33.3 111.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -50.45 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -88.58 -124.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -84.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.901 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.6 m -125.94 -63.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -132.83 16.16 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.84 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.54 46.29 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.706 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 87.5 m-85 -82.16 -0.8 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.875 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.19 23.85 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -110.86 -49.52 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -102.4 -31.0 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.706 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.54 123.26 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.874 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -48.2 88.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 74.14 112.498 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.63 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 t80 -15.77 86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 74.35 110.94 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' GLY . 3.7 t -87.37 -11.54 48.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.23 111.141 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -19.53 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.871 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 75.32 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -122.28 -8.37 8.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.0 mm-40 -46.04 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.5 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -137.14 -37.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.03 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -44.75 -30.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.29 -24.32 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.146 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -50.69 -44.54 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.11 111.093 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.514 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -51.17 -27.85 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.868 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -32.75 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.858 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -22.73 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.468 ' CE1' HG22 ' A' ' 7' ' ' ILE . 1.3 m-30 -41.37 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -62.48 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.893 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 tptt -87.17 -98.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -114.14 -85.4 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.908 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.531 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 m -127.47 -63.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.35 111.164 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.0 11.88 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.866 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.77 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.34 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 54.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.888 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 56.4 m-85 -95.93 -2.49 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 26.82 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -107.24 -43.05 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -120.13 -25.0 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.848 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -113.1 122.81 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.888 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.12 86.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 74.21 112.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.635 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t80 -14.55 84.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 74.52 110.929 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.576 ' N ' ' O ' ' A' ' 24' ' ' GLY . 10.1 t -67.34 -20.72 65.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.53 111.111 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -79.94 -5.58 55.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.89 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.865 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.341 . . . . 64.23 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 3' ' ' GLU . 2.6 t80 -108.06 -16.72 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.11 110.931 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.58 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.8 tt0 -31.94 139.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 74.25 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.56 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -22.98 -45.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.45 111.158 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.58 ' N ' ' O ' ' A' ' 3' ' ' GLU . 70.9 p -34.23 -42.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.09 -19.53 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.3 111.115 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -56.67 -34.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 72.21 111.144 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.35 -24.54 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.05 110.828 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.4 -26.81 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 72.5 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -95.46 -20.37 19.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 3.0 m-30 -41.47 116.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.866 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -60.1 -76.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.843 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 tptt -83.82 -102.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.905 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.43 -92.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.927 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.522 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.4 m -127.78 -53.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.182 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.42 9.13 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.857 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.8 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.859 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 53.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' C ' ' A' ' 15' ' ' THR . 52.7 m-85 -96.09 21.36 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.35 0.88 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.83 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -31.71 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.882 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -108.27 97.06 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.866 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.33 -89.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.499 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.5 54.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.389 . . . . 72.55 110.915 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 t -52.83 -23.99 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 74.51 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.07 -24.54 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.919 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.882 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.0 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 75.11 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.417 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 9.5 t80 -115.67 -24.51 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.935 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 6.0 mm-40 -42.54 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.577 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.9 tt -134.05 -31.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.135 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -42.36 -34.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.14 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.87 -23.04 6.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.132 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.78 -39.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 73.5 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.76 -25.2 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.859 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -83.15 -35.18 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 75.12 110.864 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -24.08 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.909 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -43.47 121.8 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.892 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -58.03 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.893 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -103.9 -88.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -122.13 -90.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.1 110.928 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.468 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.9 m -130.67 -59.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 63.14 111.114 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -127.3 10.67 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.857 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.894 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -125.48 50.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' GLY . 29.7 m-85 -96.85 16.82 18.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.69 0.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -57.58 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.873 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.82 -53.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.856 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 13.2 p90 -100.21 96.52 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 72.05 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -49.27 -91.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.43 112.519 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.13 98.6 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.422 . . . . 74.1 110.911 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 71.51 111.138 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -27.98 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.937 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.845 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.309 . . . . 75.51 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.417 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 8.9 t80 -116.44 -24.49 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.894 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 33.5 mt-10 -42.46 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.875 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.567 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.95 -31.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.14 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -42.35 -34.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.89 -23.05 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.137 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.567 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.74 -39.58 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.43 -25.21 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.875 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.21 -35.13 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 64.55 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -21.54 28.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.927 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -44.06 122.81 3.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.855 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.05 -65.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 73.42 110.86 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.5 tptp -103.61 -82.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.14 -90.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.949 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.458 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.6 m -131.01 -57.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.16 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.29 12.4 6.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.839 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.884 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -125.86 48.78 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' A' ' 24' ' ' GLY . 32.9 m-85 -95.26 16.47 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.904 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.56 0.41 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.02 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -71.62 -58.93 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.55 -51.74 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.15 110.865 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -96.92 95.93 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -47.9 -91.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 72.14 112.5 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.11 99.17 4.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.398 . . . . 74.14 110.938 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -12.74 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.158 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -28.28 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.897 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.871 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 71.22 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.446 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 12.7 t80 -120.12 -21.58 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.12 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -44.47 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.929 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.55 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.1 tt -134.82 -33.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 74.41 111.145 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -41.57 -34.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.05 -24.12 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 63.22 111.149 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.55 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.3 tp -52.43 -40.2 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 71.24 111.078 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -50.73 -25.4 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.844 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.68 -35.33 24.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.862 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.64 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.889 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -43.63 121.96 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 62.41 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -61.28 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.856 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -101.8 -87.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.877 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.56 -90.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 61.34 110.899 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.464 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 m -130.9 -58.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.177 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.58 10.99 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.842 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.886 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.95 49.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.936 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' O ' ' A' ' 24' ' ' GLY . 25.2 m-85 -96.05 17.21 15.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.55 0.45 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.843 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -57.66 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.872 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -121.92 -52.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -100.09 95.68 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -48.71 -91.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 62.14 112.485 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.08 98.28 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.53 110.921 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.56 -8.22 59.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.45 111.156 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -22.98 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 71.33 110.898 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.865 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 75.51 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -117.5 -25.05 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 74.33 110.958 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mt-10 -42.13 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 70.22 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.551 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.57 -32.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 71.5 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -42.14 -34.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 63.34 111.102 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.7 -23.71 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.113 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.47 -40.17 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.114 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.2 -26.25 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 63.22 110.865 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -35.17 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -20.44 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.921 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -46.67 123.18 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.2 110.917 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -67.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -79.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.914 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -112.51 -94.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 72.15 110.922 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.414 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.2 m -133.9 -51.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 64.51 111.134 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -124.26 5.06 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 75.35 110.864 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -125.41 57.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.907 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' C ' ' A' ' 15' ' ' THR . 6.3 m-85 -117.1 23.0 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.895 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -37.11 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -46.76 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.865 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -126.73 35.4 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -114.3 103.83 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -71.64 77.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.11 112.464 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -11.9 83.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 74.34 110.909 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 7.3 t -74.96 -23.75 58.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 0.66 47.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.958 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.825 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.314 . . . . 74.52 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' A' ' 7' ' ' ILE . 63.6 t80 -76.23 68.32 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.894 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 76.5 mt-10 -115.18 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' ' C ' ' A' ' 5' ' ' THR . 1.4 tt -138.18 -37.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.23 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.8 t -29.7 -49.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.157 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -123.07 -12.46 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 74.3 111.145 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -54.36 -38.86 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.155 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -55.79 -27.07 49.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.51 110.869 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.46 -35.5 73.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.849 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -23.59 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.93 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 1.4 m-30 -44.33 123.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.863 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -44.03 -72.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.43 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -107.09 -77.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.903 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -112.39 -99.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 64.1 110.923 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.494 ' C ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 m -137.09 -40.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.145 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -129.52 23.99 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.848 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 87.1 mtt180 -80.15 -74.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 16.5 tp -93.82 12.36 26.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.924 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CD2' ' C ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -99.82 13.84 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.888 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -128.41 10.31 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.857 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -98.73 -60.39 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.826 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.95 -65.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 21.8 p90 -87.27 91.77 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 74.41 110.861 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.17 -88.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 65.4 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.75 95.53 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 74.43 110.877 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -76.55 -18.08 58.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.5 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.25 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 72.01 110.913 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.9 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.9 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 74.22 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.415 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 10.4 t80 -116.15 -24.78 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.895 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 8.4 mm-40 -42.43 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.23 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.566 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.99 -31.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.148 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -42.19 -34.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.02 -23.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.156 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.58 -40.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.21 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.75 -25.61 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.864 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -35.51 34.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.41 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -25.05 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 70.3 110.9 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HD1' ' HA ' ' A' ' 11' ' ' PHE . 1.1 m-30 -43.18 123.38 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.852 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -44.47 -63.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.892 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -112.29 -81.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.893 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -110.63 -97.53 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.951 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.468 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.1 m -134.69 -48.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.15 111.104 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.19 18.27 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.891 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -124.94 28.35 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.89 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.9 m-85 -83.98 9.61 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.55 110.894 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -124.83 7.05 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.22 110.904 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -83.8 -54.21 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.1 -60.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -89.69 95.9 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.834 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -44.41 -90.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 62.34 112.473 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 97.31 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 74.32 110.946 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -10.43 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 74.5 111.138 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -18.05 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 70.54 110.926 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.874 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 73.4 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.413 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 5.8 t80 -117.13 -25.4 7.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 3.3 mm-40 -41.42 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.35 -33.18 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 70.23 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -40.67 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.45 111.129 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 -24.27 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.2 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.538 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.2 tp -51.57 -39.54 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.17 -25.29 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.823 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.04 -33.77 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -87.69 -17.23 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' HD1' ' HA ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -45.37 110.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.917 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -47.99 -61.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.851 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.9 tptp -110.47 -81.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.897 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.96 -84.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 60.52 110.916 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 m -130.02 -64.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.133 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.21 8.31 6.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 62.24 110.864 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.48 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.883 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.7 55.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.95 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CE1' ' C ' ' A' ' 15' ' ' THR . 24.4 m-85 -101.12 22.14 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.911 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 1.58 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.877 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -70.71 -61.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.936 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -113.18 -38.15 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.6 96.41 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.54 110.917 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.09 -87.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.819 -0.705 . . . . 75.11 112.427 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -138.83 55.73 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 75.04 110.981 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -47.99 -26.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.23 111.171 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 19' ' ' PHE . 4.7 mt -50.6 -31.11 14.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.928 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.779 0.323 . . . . 74.25 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.426 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 5.7 t80 -119.48 -23.92 6.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 83.3 mt-10 -42.12 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.908 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.512 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.2 tt -133.55 -32.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -41.77 -34.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.17 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.71 -24.31 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.189 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' HB ' ' O ' ' A' ' 3' ' ' GLU . 1.2 tp -52.0 -38.92 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.094 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -55.41 -24.89 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.823 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -86.73 -33.63 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -89.52 -16.47 30.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.909 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -44.56 112.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.22 110.882 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -48.24 -64.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.897 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 5.0 tptt -102.7 -87.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -119.61 -83.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.04 110.914 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.496 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.3 m -128.84 -64.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.2 9.73 6.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -43.36 -79.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.15 56.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CE1' ' C ' ' A' ' 15' ' ' THR . 36.2 m-85 -100.14 25.06 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.918 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -130.97 -7.76 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -60.57 -64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.834 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.61 -47.11 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.855 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -87.37 94.51 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.17 -90.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 74.55 112.451 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.3 55.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 72.32 110.974 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -14.43 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 75.03 111.112 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -24.83 60.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.87 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.816 0.341 . . . . 74.12 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.41 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 3.5 t80 -116.93 -22.31 8.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.03 110.893 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.52 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 71.0 mt-10 -42.07 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.56 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.7 tt -133.9 -31.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 75.13 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 t -42.6 -33.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.08 -22.49 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 72.15 111.148 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.82 -40.12 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.1 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -53.84 -23.41 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.54 110.85 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.09 -32.12 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 74.44 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 tp -84.53 -25.59 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 65.52 110.955 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -39.02 110.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 74.01 110.919 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 4.0 mmt180 -52.1 -52.68 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 73.22 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -110.38 -87.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.896 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -115.94 -86.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.87 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.495 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.7 m -130.12 -67.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.413 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.14 9.96 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.854 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -38.44 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.43 53.29 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.495 ' CE2' ' C ' ' A' ' 15' ' ' THR . 21.5 m-85 -89.63 21.8 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.867 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -3.44 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -68.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.874 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.65 -33.76 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.02 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -103.36 97.33 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.851 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.06 -89.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 75.11 112.525 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.95 59.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 74.53 110.939 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -50.74 -26.14 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.174 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.89 -32.67 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.931 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.89 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 73.11 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -119.38 -26.98 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.955 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.3 mm-40 -40.14 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.533 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.22 -29.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.102 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -41.52 -35.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.134 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -121.93 -22.87 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 71.51 111.142 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.533 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.4 -39.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 65.12 111.137 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -54.31 -22.68 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 70.32 110.854 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.17 -30.94 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.54 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -23.28 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.916 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.08 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.878 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -52.65 -40.73 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 74.34 110.888 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' CD ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.35 -93.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.925 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -112.17 -87.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.4 110.951 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.498 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.4 m -129.06 -70.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.21 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.04 13.34 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.35 110.83 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HG ' ' CD ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -131.16 51.61 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 71.4 110.908 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' C ' ' A' ' 15' ' ' THR . 29.1 m-85 -86.8 25.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.821 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.25 -8.47 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -61.39 -68.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.899 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.25 -37.75 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.64 97.02 8.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.88 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -25.72 -90.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 73.05 112.492 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.13 54.96 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 72.24 110.944 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -49.71 -28.17 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.35 111.151 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.64 -34.91 76.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.946 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.914 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.4 pttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 75.11 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.415 ' CE1' HD13 ' A' ' 7' ' ' ILE . 83.6 t80 -120.71 -8.05 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.914 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 18.5 mm-40 -45.89 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.85 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.61 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 tt -128.16 -20.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 64.22 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' ILE . 34.8 p -27.33 -52.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.35 111.139 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -128.91 -5.03 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.11 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.61 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.8 tp -52.53 -39.36 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.07 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.9 -26.73 26.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.852 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -80.69 -30.09 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.21 110.835 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.79 -16.88 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.901 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' CD2' ' HA ' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -46.26 116.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -59.46 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.3 110.858 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -92.83 -91.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.897 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -120.23 -85.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.32 110.935 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.0 m -128.35 -64.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.164 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.7 9.76 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.8 57.54 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 45.0 m-85 -102.75 5.17 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 23.13 5.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 74.1 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -102.1 -45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.878 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -120.26 -25.84 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.03 110.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.654 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -108.96 123.29 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.03 110.863 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.39 85.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 72.11 112.507 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 24' ' ' GLY . 5.2 t80 -13.93 85.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 73.24 110.916 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 8.0 t -66.85 -22.67 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.088 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -78.37 -8.99 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.907 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.842 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 64.45 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 6.8 t80 -116.99 -23.52 7.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -42.4 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.87 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.543 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.26 -33.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -40.56 -37.5 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.5 111.143 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.38 -24.66 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 70.11 111.147 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.2 tp -51.33 -40.25 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.128 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.49 -25.79 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.844 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.04 -34.52 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -86.41 -18.6 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.886 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -45.65 115.21 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.85 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -65.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.864 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -82.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.891 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -114.23 -91.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.941 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.467 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 m -132.21 -56.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.193 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -126.22 3.42 7.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.843 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -44.07 -74.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.0 tp -126.38 63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.916 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' C ' ' A' ' 15' ' ' THR . 15.4 m-85 -117.77 12.83 14.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.08 24.85 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.86 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -109.03 -61.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.928 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.4 -26.76 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.662 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.63 100.82 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.34 110.87 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.43 -90.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 73.34 112.516 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -141.6 61.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 75.41 110.929 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -57.81 -18.34 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 64.25 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -63.66 -18.27 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.926 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.83 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.801 0.334 . . . . 74.54 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 7.9 t80 -116.07 -24.21 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 72.35 110.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.523 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 59.2 mt-10 -42.35 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 71.25 110.91 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.77 -31.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.21 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 t -42.3 -34.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 72.3 111.151 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -23.5 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.03 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.4 tp -51.51 -40.55 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.42 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.441 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -51.91 -25.51 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.874 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -82.67 -33.58 27.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -20.85 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -44.98 107.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.882 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.89 -50.87 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 74.42 110.871 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 2.7 tttp -93.28 -96.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.45 -86.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.905 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 m -127.07 -68.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 75.14 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.19 14.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 74.02 110.87 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 64.31 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.15 49.2 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.866 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.499 ' CE2' ' C ' ' A' ' 15' ' ' THR . 66.9 m-85 -87.03 -4.71 59.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.35 20.74 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -96.83 -45.14 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.93 -22.82 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.839 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -109.41 123.37 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.884 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.65 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -45.76 88.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 65.31 112.48 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.65 ' C ' ' O ' ' A' ' 24' ' ' GLY . 45.7 t80 -11.8 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 74.21 110.942 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' GLY . 6.7 t -85.74 -15.37 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.21 111.135 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.35 -20.11 17.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.737 0.303 . . . . 73.4 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -114.53 39.27 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.936 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.492 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.5 mt-10 -77.47 -81.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 73.55 110.885 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -137.59 -38.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.138 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -46.03 -31.44 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 62.41 111.166 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -21.86 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.166 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.672 HG22 ' CE1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.96 -44.74 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.136 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.505 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.96 -27.95 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.858 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.83 -32.02 72.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -22.67 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CE1' HG22 ' A' ' 7' ' ' ILE . 2.0 m-30 -38.56 118.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 65.01 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.03 -70.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.884 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.2 tptt -94.91 -97.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 64.23 110.879 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -107.67 -86.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.935 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.9 m -128.14 -59.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.02 111.119 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.69 7.79 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.864 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.35 56.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' C ' ' A' ' 15' ' ' THR . 31.6 m-85 -99.21 28.22 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -132.28 -15.31 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.33 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -54.36 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.82 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.79 -44.21 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -90.78 98.05 11.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.917 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.16 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 74.15 112.465 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.78 55.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 74.3 110.909 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -50.72 -23.93 3.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 19' ' ' PHE . 73.8 mt -49.98 -26.04 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.934 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.832 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.407 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 8.1 t80 -117.67 -24.53 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -42.0 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.909 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.7 tt -133.33 -31.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.35 111.145 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -42.39 -34.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 71.14 111.141 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.33 -24.03 6.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.23 111.135 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.531 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.3 tp -51.04 -41.33 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 74.22 111.144 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.452 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.98 -26.67 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.884 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.4 -34.08 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.52 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -22.72 24.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.899 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 1.5 m-30 -43.38 120.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.51 110.891 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -56.42 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.87 -96.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.843 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.65 -85.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.959 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.521 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 3.3 m -127.25 -64.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.51 111.151 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.78 5.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.868 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.04 110.847 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -126.09 52.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 72.9 m-85 -91.23 -1.98 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.889 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 30.32 5.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -118.95 -39.09 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.879 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.89 -33.26 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.695 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.89 124.62 45.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.9 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.31 88.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 75.42 112.485 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' C ' ' O ' ' A' ' 24' ' ' GLY . 21.8 t80 -16.38 88.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 73.01 110.882 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -95.21 -8.22 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.12 111.149 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.98 -26.83 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.881 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 74.02 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.418 ' CE2' ' CD1' ' A' ' 7' ' ' ILE . 10.6 t80 -116.32 -27.38 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 72.11 110.925 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 41.9 mt-10 -42.12 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.535 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.48 -31.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.45 111.169 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -39.24 -37.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 64.2 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -120.07 -23.97 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.139 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.2 tp -51.42 -39.54 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 73.12 111.118 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.41 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -51.14 -24.65 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 72.2 110.865 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.36 -36.52 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.33 -18.54 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.903 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 7' ' ' ILE . 1.2 m-30 -31.3 108.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.9 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 10.3 tpt180 -61.4 -71.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tptm -78.35 -123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.933 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -82.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.894 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.527 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 m -125.7 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 73.12 111.143 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 16.64 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -49.44 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.24 48.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.893 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.715 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 85.4 m-85 -88.85 -3.53 58.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.89 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -128.93 29.75 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.855 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -116.83 -40.78 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.876 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.48 -31.69 6.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 62.4 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.715 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.84 124.88 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.873 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.28 87.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 41.11 112.458 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' C ' ' O ' ' A' ' 24' ' ' GLY . 15.0 t80 -16.12 88.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 72.35 110.974 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -92.17 -8.69 44.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 75.44 111.108 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.71 -23.05 5.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.911 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.853 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 71.33 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 3' ' ' GLU . 1.9 t80 -62.68 -16.96 59.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.21 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.1 pt-20 -30.28 137.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 74.01 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.6 tt -24.41 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.54 111.132 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -37.61 -37.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 74.52 111.126 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.04 -16.61 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 64.22 111.157 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.536 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -56.84 -32.65 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.35 111.138 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.16 62.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 63.4 110.854 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -62.6 -22.48 66.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -101.36 -19.92 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.03 110.913 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 7' ' ' ILE . 3.1 m-30 -40.35 115.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.32 -74.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.905 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.2 tptt -81.78 -106.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 62.14 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.53 -89.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.518 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.5 m -127.65 -56.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.124 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.49 10.55 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.886 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.85 52.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.908 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CE1' ' C ' ' A' ' 15' ' ' THR . 56.7 m-85 -95.51 21.44 8.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -0.55 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.4 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -33.39 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 71.2 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -107.32 97.41 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 71.13 110.882 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.53 -88.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 74.43 112.457 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.0 56.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 74.43 110.931 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 t -53.86 -23.07 11.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 75.43 111.144 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.03 -21.7 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.3 110.919 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.899 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 pttt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.776 0.322 . . . . 74.42 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.409 ' CE1' ' CD1' ' A' ' 7' ' ' ILE . 10.9 t80 -119.13 -24.65 6.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 73.43 110.942 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 30.2 mt-10 -42.59 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.9 tt -133.24 -32.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.44 111.178 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -41.65 -34.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 74.55 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.33 -23.32 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 75.22 111.156 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 11' ' ' PHE . 1.3 tp -54.76 -38.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.101 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -24.72 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.913 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -73.69 -35.53 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.46 -20.58 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.913 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 7' ' ' ILE . 1.8 m-30 -33.3 111.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -50.45 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -88.58 -124.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -84.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.901 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.6 m -125.94 -63.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -132.83 16.16 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.84 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.54 46.29 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.706 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 87.5 m-85 -82.16 -0.8 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.875 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.19 23.85 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -110.86 -49.52 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -102.4 -31.0 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.706 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.54 123.26 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.874 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -48.2 88.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 74.14 112.498 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.63 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 t80 -15.77 86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 74.35 110.94 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' GLY . 3.7 t -87.37 -11.54 48.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.23 111.141 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -19.53 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.871 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 75.32 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -122.28 -8.37 8.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.0 mm-40 -46.04 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.5 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -137.14 -37.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.03 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -44.75 -30.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.29 -24.32 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.146 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -50.69 -44.54 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.11 111.093 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.514 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -51.17 -27.85 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.868 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -32.75 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.858 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -22.73 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.468 ' CE1' HG22 ' A' ' 7' ' ' ILE . 1.3 m-30 -41.37 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -62.48 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.893 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 tptt -87.17 -98.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -114.14 -85.4 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.908 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.531 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 m -127.47 -63.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.35 111.164 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.0 11.88 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.866 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.77 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.34 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 54.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.888 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 56.4 m-85 -95.93 -2.49 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 26.82 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -107.24 -43.05 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -120.13 -25.0 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.848 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -113.1 122.81 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.888 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.12 86.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 74.21 112.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.635 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t80 -14.55 84.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 74.52 110.929 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.576 ' N ' ' O ' ' A' ' 24' ' ' GLY . 10.1 t -67.34 -20.72 65.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.53 111.111 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -79.94 -5.58 55.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.89 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.865 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.341 . . . . 64.23 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 3' ' ' GLU . 2.6 t80 -108.06 -16.72 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.11 110.931 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.58 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.8 tt0 -31.94 139.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 74.25 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.56 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -22.98 -45.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.45 111.158 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.58 ' N ' ' O ' ' A' ' 3' ' ' GLU . 70.9 p -34.23 -42.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.09 -19.53 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.3 111.115 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -56.67 -34.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 72.21 111.144 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.35 -24.54 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.05 110.828 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.4 -26.81 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 72.5 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -95.46 -20.37 19.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 3.0 m-30 -41.47 116.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.866 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -60.1 -76.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.843 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 tptt -83.82 -102.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.905 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.43 -92.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.927 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.522 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.4 m -127.78 -53.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.182 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.42 9.13 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.857 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.8 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.859 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 53.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' C ' ' A' ' 15' ' ' THR . 52.7 m-85 -96.09 21.36 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.35 0.88 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.83 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -31.71 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.882 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -108.27 97.06 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.866 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.33 -89.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.499 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.5 54.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.389 . . . . 72.55 110.915 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 t -52.83 -23.99 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 74.51 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.07 -24.54 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.919 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.882 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.0 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 64.040000000000006 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.73 ' O ' HD13 ' A' ' 7' ' ' ILE . 9.5 t80 -115.67 -24.51 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.010000000000005 110.935 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 6.0 mm-40 -42.54 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.581 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.9 tt -134.05 -31.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.135 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -42.36 -34.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 70.349999999999994 111.14 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.87 -23.04 6.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 72.209999999999994 111.132 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.794 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.78 -39.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 73.5 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.76 -25.2 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.859 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -83.15 -35.18 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 63.149999999999999 110.864 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.79 -24.08 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 63.109999999999999 110.909 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -43.47 121.8 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.892 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -48.92 -58.03 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.893 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' ' 18' ' ' LEU . 21.2 tptt -103.9 -88.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.925 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -122.13 -90.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.099999999999994 110.928 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.468 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.9 m -130.67 -59.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 62.119999999999997 111.114 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -127.3 10.67 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.857 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -43.95 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.3 pt? -125.48 50.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 63.350000000000001 110.928 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' GLY . 29.7 m-85 -96.85 16.82 18.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 62.229999999999997 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.69 0.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -57.58 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.873 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.82 -53.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.409999999999997 110.856 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 13.2 p90 -100.21 96.52 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 72.049999999999997 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -49.27 -91.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.430000000000007 112.519 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.13 98.6 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.422 . . . . 72.129999999999995 110.911 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 64.340000000000003 111.138 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.794 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -69.48 -27.98 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.299999999999997 110.937 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 73.319999999999993 110.845 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.309 . . . . 70.439999999999998 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.729 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.9 t80 -116.44 -24.49 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.894 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 33.5 mt-10 -42.46 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.875 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.572 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.95 -31.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 111.14 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -42.35 -34.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.89 -23.05 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.137 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.828 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.74 -39.58 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.43 -25.21 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.539999999999999 110.875 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.21 -35.13 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 64.549999999999997 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -85.74 -21.54 28.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.927 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -44.06 122.81 3.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.855 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.05 -65.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.439999999999998 110.86 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB2' HD21 ' A' ' 18' ' ' LEU . 12.5 tptp -103.61 -82.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.14 -90.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 65.049999999999997 110.949 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.458 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.6 m -131.01 -57.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.109999999999999 111.16 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.29 12.4 6.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.109999999999999 110.839 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.7 pt? -125.86 48.78 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' A' ' 24' ' ' GLY . 32.9 m-85 -95.26 16.47 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.904 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.56 0.41 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.019999999999996 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -71.62 -58.93 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.55 -51.74 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 110.865 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -96.92 95.93 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -47.9 -91.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 72.140000000000001 112.5 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.11 99.17 4.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.398 . . . . 65.540000000000006 110.938 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -12.74 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.158 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.828 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -65.3 -28.28 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.897 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.871 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 63.350000000000001 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.715 ' O ' HD13 ' A' ' 7' ' ' ILE . 12.7 t80 -120.12 -21.58 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -44.47 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 62.409999999999997 110.929 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.554 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.1 tt -134.82 -33.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 74.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -41.57 -34.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 70.150000000000006 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.05 -24.12 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 111.149 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.805 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.3 tp -52.43 -40.2 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 43.119999999999997 111.078 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -50.73 -25.4 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.844 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.68 -35.33 24.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 110.862 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.55 -23.64 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.889 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -43.63 121.96 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 62.409999999999997 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.68 ' NH1' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -48.84 -61.28 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.010000000000005 110.856 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.1 tptt -101.8 -87.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.56 -90.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 35.420000000000002 110.899 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.464 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 m -130.9 -58.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 63.240000000000002 111.177 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.58 10.99 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.842 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.230000000000004 110.886 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.68 HD11 ' NH1' ' A' ' 12' ' ' ARG . 1.5 pt? -125.95 49.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.936 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' O ' ' A' ' 24' ' ' GLY . 25.2 m-85 -96.05 17.21 15.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.55 0.45 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 54.420000000000002 110.843 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -57.66 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.872 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -121.92 -52.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -100.09 95.68 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -48.71 -91.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 62.140000000000001 112.485 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.08 98.28 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.530000000000001 110.921 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.56 -8.22 59.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 52.399999999999999 111.156 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.805 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -72.8 -22.98 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 71.329999999999998 110.898 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.865 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 75.510000000000005 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.683 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.7 t80 -117.5 -25.05 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 74.329999999999998 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mt-10 -42.13 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 70.219999999999999 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.557 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.57 -32.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 62.009999999999998 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -42.14 -34.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 60.420000000000002 111.102 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.7 -23.71 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 111.113 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.715 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.47 -40.17 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 60.039999999999999 111.114 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.2 -26.25 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 63.219999999999999 110.865 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -35.17 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -86.42 -20.44 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 62.149999999999999 110.921 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.67 123.18 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.917 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -67.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -79.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.409999999999997 110.914 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -112.51 -94.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 72.150000000000006 110.922 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.449 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.2 m -133.9 -51.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 111.134 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -124.26 5.06 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.419 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -45.87 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 61.329999999999998 110.864 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -125.41 57.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.907 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' C ' ' A' ' 15' ' ' THR . 6.3 m-85 -117.1 23.0 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.895 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -37.11 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.5 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -46.76 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.865 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -126.73 35.4 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -114.3 103.83 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -71.64 77.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.109999999999999 112.464 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -11.9 83.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 72.200000000000003 110.909 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 7.3 t -74.96 -23.75 58.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 111.142 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -84.15 0.66 47.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.958 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.400000000000006 110.825 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.314 . . . . 61.200000000000003 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.724 ' OH ' HD13 ' A' ' 10' ' ' LEU . 63.6 t80 -76.23 68.32 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.894 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 76.5 mt-10 -115.18 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.329999999999998 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' ' C ' ' A' ' 5' ' ' THR . 1.4 tt -138.18 -37.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.8 t -29.7 -49.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 111.157 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 5' ' ' THR . 1.3 t -123.07 -12.46 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 111.145 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -54.36 -38.86 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.049999999999997 111.155 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.79 -27.07 49.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.510000000000005 110.869 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.46 -35.5 73.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.849 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -86.76 -23.59 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.420000000000002 110.93 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 27' ' ' LEU . 1.4 m-30 -44.33 123.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.510000000000005 110.863 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HG3' HD23 ' A' ' 18' ' ' LEU . 3.6 mmt180 -44.03 -72.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 65.319999999999993 110.847 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -107.09 -77.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 62.350000000000001 110.903 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -112.39 -99.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 55.210000000000001 110.923 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 16' ' ' HIS . 1.3 m -137.09 -40.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 15' ' ' THR . 49.7 m80 -129.52 23.99 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 87.1 mtt180 -80.15 -74.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.495 HD23 ' HG3' ' A' ' 12' ' ' ARG . 16.5 tp -93.82 12.36 26.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.924 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CD2' ' C ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -99.82 13.84 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.888 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -128.41 10.31 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 110.857 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -98.73 -60.39 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.826 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.95 -65.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 21.8 p90 -87.27 91.77 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.861 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.17 -88.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -132.75 95.53 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 74.430000000000007 110.877 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -76.55 -18.08 58.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.400000000000006 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -64.79 -46.25 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 72.010000000000005 110.913 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 110.9 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.9 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 61.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.733 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.4 t80 -116.15 -24.78 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.895 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 8.4 mm-40 -42.43 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.230000000000004 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.566 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.99 -31.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 111.148 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -42.19 -34.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -121.02 -23.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.156 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.782 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.58 -40.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.549999999999997 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.75 -25.61 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.864 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -35.51 34.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 52.219999999999999 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.17 -25.05 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.9 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' A' ' 27' ' ' LEU . 1.1 m-30 -43.18 123.38 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.852 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -44.47 -63.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.209999999999994 110.892 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -112.29 -81.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 110.893 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.667 HD22 HH11 ' A' ' 17' ' ' ARG . 0.8 OUTLIER -110.63 -97.53 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 110.951 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.1 m -134.69 -48.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 111.104 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 18.27 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.667 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.98 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.119999999999997 110.891 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -124.94 28.35 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 110.89 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.9 m-85 -83.98 9.61 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.894 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -124.83 7.05 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 110.904 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -83.8 -54.21 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.1 -60.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -89.69 95.9 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.834 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -44.41 -90.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 44.539999999999999 112.473 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -135.89 97.31 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 63.210000000000001 110.946 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -81.6 -10.43 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 74.5 111.138 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.782 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -70.85 -18.05 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 53.229999999999997 110.926 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.874 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.699 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.8 t80 -117.13 -25.4 7.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 3.3 mm-40 -41.42 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.109999999999999 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.545 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.35 -33.18 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 52.25 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -40.67 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.150000000000006 111.129 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 -24.27 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 72.049999999999997 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.57 -39.54 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.17 -25.29 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.450000000000003 110.823 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.04 -33.77 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -87.69 -17.23 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 70.310000000000002 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.37 110.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.917 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -47.99 -61.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.851 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HB2' HD21 ' A' ' 18' ' ' LEU . 10.9 tptp -110.47 -81.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.897 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.96 -84.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 45.210000000000001 110.916 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 m -130.02 -64.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 111.133 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.21 8.31 6.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 53.420000000000002 110.864 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.48 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.883 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -126.7 55.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 63.450000000000003 110.95 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 27' ' ' LEU . 24.4 m-85 -101.12 22.14 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.911 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 1.58 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.877 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -70.71 -61.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.936 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -113.18 -38.15 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.6 96.41 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.540000000000006 110.917 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.09 -87.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.819 -0.705 . . . . 42.43 112.427 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 27' ' ' LEU . 1.6 t80 -138.83 55.73 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 74.25 110.981 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' HD11 ' A' ' 10' ' ' LEU . 6.9 t -47.99 -26.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 50.140000000000001 111.171 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' HE1' ' A' ' 11' ' ' PHE . 4.7 mt -50.6 -31.11 14.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 61.409999999999997 110.928 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.727 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.7 t80 -119.48 -23.92 6.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 83.3 mt-10 -42.12 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 62.310000000000002 110.908 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.52 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.2 tt -133.55 -32.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -41.77 -34.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.17 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.71 -24.31 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 111.189 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -52.0 -38.92 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 64.099999999999994 111.094 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -55.41 -24.89 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.823 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -86.73 -33.63 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.040000000000006 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -89.52 -16.47 30.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 65.510000000000005 110.909 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -44.56 112.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.219999999999999 110.882 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -48.24 -64.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 64.030000000000001 110.897 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 18' ' ' LEU . 5.0 tptt -102.7 -87.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -119.61 -83.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.914 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.496 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.3 m -128.84 -64.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 42.219999999999999 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.2 9.73 6.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.329999999999998 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HG2' HD23 ' A' ' 18' ' ' LEU . 1.6 tpt180 -43.36 -79.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.119999999999997 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.562 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.15 56.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 110.908 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HD21 ' A' ' 27' ' ' LEU . 36.2 m-85 -100.14 25.06 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.918 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -130.97 -7.76 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 64.329999999999998 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -60.57 -64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.834 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.61 -47.11 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 63.149999999999999 110.855 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -87.37 94.51 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.17 -90.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 44.240000000000002 112.451 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.3 55.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 72.239999999999995 110.974 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -59.19 -14.43 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 62.130000000000003 111.112 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -72.87 -24.83 60.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.88 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.87 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.816 0.341 . . . . 72.430000000000007 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.747 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.5 t80 -116.93 -22.31 8.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.030000000000001 110.893 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 71.0 mt-10 -42.07 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.129999999999995 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.563 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.7 tt -133.9 -31.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 t -42.6 -33.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.510000000000005 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -122.08 -22.49 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 72.150000000000006 111.148 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.82 -40.12 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 111.1 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -53.84 -23.41 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.85 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.09 -32.12 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 74.439999999999998 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 tp -84.53 -25.59 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 65.519999999999996 110.955 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -39.02 110.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.919 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 4.0 mmt180 -52.1 -52.68 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 71.230000000000004 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.788 ' HE3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -110.38 -87.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.896 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -115.94 -86.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.87 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.495 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.7 m -130.12 -67.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 52.439999999999998 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.41 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.14 9.96 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.854 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.658 ' CG ' HD23 ' A' ' 18' ' ' LEU . 16.0 tpt85 -38.44 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.864 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -129.43 53.29 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 60.020000000000003 110.889 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.817 ' CD1' HD21 ' A' ' 27' ' ' LEU . 21.5 m-85 -89.63 21.8 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.867 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -3.44 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.439999999999998 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -68.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.874 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.65 -33.76 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -103.36 97.33 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.200000000000003 110.851 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.06 -89.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 75.109999999999999 112.525 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HE2' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -138.95 59.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 74.310000000000002 110.939 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.485 HG23 HD23 ' A' ' 27' ' ' LEU . 6.7 t -50.74 -26.14 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.019999999999996 111.174 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.817 HD21 ' CD1' ' A' ' 19' ' ' PHE . 5.0 mt -64.89 -32.67 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.230000000000004 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.89 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 72.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.776 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.6 t80 -119.38 -26.98 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 110.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.3 mm-40 -40.14 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 70.510000000000005 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.539 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.22 -29.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.102 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -41.52 -35.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.134 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.8 t -121.93 -22.87 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 70.340000000000003 111.142 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.776 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.4 -39.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.239999999999995 111.137 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -54.31 -22.68 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 51.530000000000001 110.854 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.17 -30.94 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.26 -23.28 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.030000000000001 110.916 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -41.08 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 62.109999999999999 110.878 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -52.65 -40.73 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.109999999999999 110.888 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.35 -93.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.925 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -112.17 -87.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 110.951 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.498 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.4 m -129.06 -70.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.209999999999994 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.04 13.34 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 110.83 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.602 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -40.18 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.886 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.602 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -131.16 51.61 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 63.240000000000002 110.908 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 27' ' ' LEU . 29.1 m-85 -86.8 25.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 63.100000000000001 110.821 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.25 -8.47 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -61.39 -68.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.899 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.25 -37.75 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.64 97.02 8.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.150000000000006 110.88 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -25.72 -90.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 73.049999999999997 112.492 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.13 54.96 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 72.239999999999995 110.944 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 HD23 ' A' ' 27' ' ' LEU . 7.1 t -49.71 -28.17 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 111.151 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 19' ' ' PHE . 6.2 mt -61.64 -34.91 76.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.946 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.914 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.4 pttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 74.329999999999998 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -120.71 -8.05 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 110.914 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 18.5 mm-40 -45.89 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.85 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.616 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 tt -128.16 -20.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 64.219999999999999 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 1' ' ' LYS . 34.8 p -27.33 -52.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.349999999999994 111.139 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -128.91 -5.03 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.8 tp -52.53 -39.36 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 71.200000000000003 111.07 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.9 -26.73 26.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.852 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -80.69 -30.09 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.209999999999994 110.835 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.79 -16.88 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 61.119999999999997 110.901 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -46.26 116.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -59.46 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.230000000000004 110.858 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -92.83 -91.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.897 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.23 -85.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.240000000000002 110.935 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.0 m -128.35 -64.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 52.329999999999998 111.164 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.7 9.76 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 72.510000000000005 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.69 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.409999999999997 110.861 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.8 57.54 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.929 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 45.0 m-85 -102.75 5.17 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 65.019999999999996 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 23.13 5.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 74.099999999999994 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -102.1 -45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.878 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -120.26 -25.84 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.030000000000001 110.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.654 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -108.96 123.29 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 110.863 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.39 85.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 72.109999999999999 112.507 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 24' ' ' GLY . 5.2 t80 -13.93 85.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 73.239999999999995 110.916 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 8.0 t -66.85 -22.67 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.130000000000003 111.088 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 25' ' ' TYR . 4.9 mt -78.37 -8.99 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 71.209999999999994 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.842 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 64.450000000000003 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.695 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.8 t80 -116.99 -23.52 7.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 110.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -42.4 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.129999999999995 110.87 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.26 -33.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 53.350000000000001 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -40.56 -37.5 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.5 111.143 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.38 -24.66 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 70.109999999999999 111.147 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.33 -40.25 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 52.520000000000003 111.128 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.49 -25.79 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.844 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.04 -34.52 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.119999999999997 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -86.41 -18.6 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 110.886 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.527 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.65 115.21 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.85 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -65.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.864 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -82.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.891 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -114.23 -91.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.941 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.467 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 m -132.21 -56.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 54.210000000000001 111.193 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -126.22 3.42 7.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.843 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -44.07 -74.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 3.0 tp -126.38 63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.916 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 27' ' ' LEU . 15.4 m-85 -117.77 12.83 14.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 75.299999999999997 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.08 24.85 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 110.86 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' CD ' HD12 ' A' ' 18' ' ' LEU . 2.1 mpt_? -109.03 -61.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.928 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.4 -26.76 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.662 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.63 100.82 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.340000000000003 110.87 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.43 -90.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 73.340000000000003 112.516 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 27' ' ' LEU . 1.7 t80 -141.6 61.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 75.409999999999997 110.929 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -57.81 -18.34 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 63.539999999999999 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -63.66 -18.27 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 72.120000000000005 110.926 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.83 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.801 0.334 . . . . 55.229999999999997 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 7' ' ' ILE . 7.9 t80 -116.07 -24.21 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 70.319999999999993 110.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.536 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 59.2 mt-10 -42.35 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 71.25 110.91 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.77 -31.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 t -42.3 -34.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.219999999999999 111.151 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.81 -23.5 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 111.188 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.51 -40.55 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.91 -25.51 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.874 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -82.67 -33.58 27.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 64.209999999999994 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -20.85 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -44.98 107.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.882 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.89 -50.87 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 74.420000000000002 110.871 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HD3' HD23 ' A' ' 18' ' ' LEU . 2.7 tttp -93.28 -96.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.45 -86.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.905 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 m -127.07 -68.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.5 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.19 14.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 55.450000000000003 110.87 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 62.420000000000002 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -129.15 49.2 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.866 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CB ' HD11 ' A' ' 27' ' ' LEU . 66.9 m-85 -87.03 -4.71 59.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.35 20.74 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -96.83 -45.14 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 71.019999999999996 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.93 -22.82 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 110.839 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -109.41 123.37 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.450000000000003 110.884 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.65 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -45.76 88.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 64.129999999999995 112.48 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.65 ' C ' ' O ' ' A' ' 24' ' ' GLY . 45.7 t80 -11.8 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 74.209999999999994 110.942 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' GLY . 6.7 t -85.74 -15.37 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 52.409999999999997 111.135 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 19' ' ' PHE . 1.1 mt -56.35 -20.11 17.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.737 0.303 . . . . 71.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.412 ' HA ' HG22 ' A' ' 6' ' ' THR . 1.3 t80 -114.53 39.27 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.936 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.5 mt-10 -77.47 -81.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 72.430000000000007 110.885 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -137.59 -38.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.138 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 4' ' ' ILE . 5.8 t -46.03 -31.44 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 62.409999999999997 111.166 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.75 -21.86 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 111.166 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.96 -44.74 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.136 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.505 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.96 -27.95 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.858 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.83 -32.02 72.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 65.5 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.731 HD21 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -95.71 -22.67 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.914 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CE1' HD12 ' A' ' 7' ' ' ILE . 2.0 m-30 -38.56 118.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 65.010000000000005 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.03 -70.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 65.129999999999995 110.884 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.2 tptt -94.91 -97.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 63.229999999999997 110.879 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -107.67 -86.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.935 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.9 m -128.14 -59.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.119 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.69 7.79 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.530000000000001 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.536 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.13 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.864 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.35 56.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.916 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' C ' ' A' ' 15' ' ' THR . 31.6 m-85 -99.21 28.22 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -132.28 -15.31 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.219999999999999 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -54.36 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.82 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.79 -44.21 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -90.78 98.05 11.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 110.917 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.16 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 74.150000000000006 112.465 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 27' ' ' LEU . 1.3 t80 -136.78 55.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 62.329999999999998 110.909 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.731 ' CG2' HD21 ' A' ' 10' ' ' LEU . 5.2 t -50.72 -23.93 3.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.114 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.8 HD12 ' CE2' ' A' ' 25' ' ' TYR . 73.8 mt -49.98 -26.04 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 70.310000000000002 110.934 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.540000000000006 110.832 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 73.400000000000006 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.1 t80 -117.67 -24.53 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.010000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -42.0 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 72.299999999999997 110.909 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.7 tt -133.33 -31.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 111.145 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -42.39 -34.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 71.140000000000001 111.141 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -24.03 6.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 74.120000000000005 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -51.04 -41.33 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 74.219999999999999 111.144 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.452 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.98 -26.67 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.884 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.4 -34.08 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.519999999999996 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -22.72 24.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 64.109999999999999 110.899 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.5 m-30 -43.38 120.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.510000000000005 110.891 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -56.42 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 62.049999999999997 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.87 -96.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 110.843 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.65 -85.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.959 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.521 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 3.3 m -127.25 -64.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.510000000000005 111.151 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.78 5.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 75.319999999999993 110.868 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.08 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.040000000000006 110.847 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 17' ' ' ARG . 1.4 pt? -126.09 52.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.891 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CG ' HD11 ' A' ' 27' ' ' LEU . 72.9 m-85 -91.23 -1.98 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.889 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 30.32 5.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -118.95 -39.09 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.879 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.89 -33.26 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.695 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.89 124.62 45.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.9 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.31 88.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 64.530000000000001 112.485 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' C ' ' O ' ' A' ' 24' ' ' GLY . 21.8 t80 -16.38 88.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 73.010000000000005 110.882 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -95.21 -8.22 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.299999999999997 111.149 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.98 -26.83 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 110.926 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.881 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 73.239999999999995 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.74 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.6 t80 -116.32 -27.38 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 70.310000000000002 110.925 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 41.9 mt-10 -42.12 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.48 -31.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.450000000000003 111.169 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -39.24 -37.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.420000000000002 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.3 t -120.07 -23.97 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.139 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.42 -39.54 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 111.118 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -24.65 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 72.200000000000003 110.865 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.36 -36.52 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.43 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.33 -18.54 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.903 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD13 ' A' ' 27' ' ' LEU . 1.2 m-30 -31.3 108.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.9 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 10.3 tpt180 -61.4 -71.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HG2' HD23 ' A' ' 18' ' ' LEU . 14.3 tptm -78.35 -123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 53.030000000000001 110.933 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -96.56 -82.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.894 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.527 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 m -125.7 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.143 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 16.64 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 11.4 mtt180 -49.44 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.842 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.24 48.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 110.893 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.726 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 85.4 m-85 -88.85 -3.53 58.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 110.89 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 2.1 ppt_? -128.93 29.75 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 110.855 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -116.83 -40.78 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.876 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.48 -31.69 6.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 51.530000000000001 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.84 124.88 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.873 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.28 87.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 41.109999999999999 112.458 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' C ' ' O ' ' A' ' 24' ' ' GLY . 15.0 t80 -16.12 88.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 72.349999999999994 110.974 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -92.17 -8.69 44.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 75.439999999999998 111.108 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 19' ' ' PHE . 2.2 mt -52.71 -23.05 5.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 71.409999999999997 110.911 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.853 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 71.329999999999998 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.664 ' OH ' HD13 ' A' ' 10' ' ' LEU . 1.9 t80 -62.68 -16.96 59.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.1 pt-20 -30.28 137.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 74.010000000000005 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 1.6 tt -24.41 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 64.049999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -37.61 -37.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 74.010000000000005 111.126 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.04 -16.61 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 111.157 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.84 -32.65 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.138 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.16 62.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.854 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -62.6 -22.48 66.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.664 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -101.36 -19.92 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.030000000000001 110.913 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.849 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.1 m-30 -40.35 115.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.32 -74.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.905 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.2 tptt -81.78 -106.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 62.140000000000001 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -103.53 -89.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.923 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.518 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.5 m -127.65 -56.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.124 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.49 10.55 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -44.8 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.030000000000001 110.886 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.85 52.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 62.340000000000003 110.908 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 27' ' ' LEU . 56.7 m-85 -95.51 21.44 8.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.539999999999999 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -0.55 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.420000000000002 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -33.39 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -107.32 97.41 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.882 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.53 -88.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 74.430000000000007 112.457 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.0 56.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 74.430000000000007 110.931 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.543 HG21 HD21 ' A' ' 10' ' ' LEU . 4.4 t -53.86 -23.07 11.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 75.430000000000007 111.144 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.849 HD22 ' CE1' ' A' ' 11' ' ' PHE . 1.5 mt -67.03 -21.7 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.899 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 pttt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.776 0.322 . . . . 74.420000000000002 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.718 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.9 t80 -119.13 -24.65 6.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 73.430000000000007 110.942 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 30.2 mt-10 -42.59 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.9 tt -133.24 -32.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 111.178 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -41.65 -34.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 41.200000000000003 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -23.32 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 111.156 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -54.76 -38.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.150000000000006 111.101 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -24.72 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.913 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -73.69 -35.53 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.46 -20.58 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.913 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.741 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.8 m-30 -33.3 111.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -50.45 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HG2' HD23 ' A' ' 18' ' ' LEU . 8.1 tptt -88.58 -124.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 62.350000000000001 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -101.58 -84.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.901 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.6 m -125.94 -63.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 64.140000000000001 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -132.83 16.16 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.329999999999998 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.200000000000003 110.84 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -125.54 46.29 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.934 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.718 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 87.5 m-85 -82.16 -0.8 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.875 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.19 23.85 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -110.86 -49.52 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -102.4 -31.0 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 51.109999999999999 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.54 123.26 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 73.450000000000003 110.874 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -48.2 88.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 74.140000000000001 112.498 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.63 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 t80 -15.77 86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 74.349999999999994 110.94 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' GLY . 3.7 t -87.37 -11.54 48.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.230000000000004 111.141 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -57.5 -19.53 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.925 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.871 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 75.319999999999993 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -122.28 -8.37 8.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.0 mm-40 -46.04 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.506 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -137.14 -37.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.420000000000002 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -44.75 -30.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 51.409999999999997 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.29 -24.32 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 111.146 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -50.69 -44.54 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.210000000000001 111.093 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.514 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -51.17 -27.85 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.868 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -32.75 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.858 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -22.73 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.723 ' CD1' HD12 ' A' ' 7' ' ' ILE . 1.3 m-30 -41.37 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.89 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -62.48 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 62.43 110.893 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 tptt -87.17 -98.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 70.099999999999994 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -114.14 -85.4 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.908 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.531 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 m -127.47 -63.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 111.164 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.0 11.88 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.866 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -45.77 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.340000000000003 110.89 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -126.6 54.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 56.4 m-85 -95.93 -2.49 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 26.82 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -107.24 -43.05 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -120.13 -25.0 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.848 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -113.1 122.81 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.888 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.12 86.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 74.209999999999994 112.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.635 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t80 -14.55 84.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 73.310000000000002 110.929 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.668 HG23 HD23 ' A' ' 27' ' ' LEU . 10.1 t -67.34 -20.72 65.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 111.111 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 26' ' ' THR . 3.0 mt -79.94 -5.58 55.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.89 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.865 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.341 . . . . 63.549999999999997 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 10' ' ' LEU . 2.6 t80 -108.06 -16.72 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.931 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.752 ' HG2' HG23 ' A' ' 5' ' ' THR . 13.8 tt0 -31.94 139.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.329999999999998 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.56 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -22.98 -45.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 111.158 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.752 HG23 ' HG2' ' A' ' 3' ' ' GLU . 70.9 p -34.23 -42.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.09 -19.53 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 111.115 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -56.67 -34.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.144 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.35 -24.54 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.049999999999997 110.828 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.4 -26.81 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 72.409999999999997 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.626 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -95.46 -20.37 19.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.219999999999999 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.0 m-30 -41.47 116.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.866 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -60.1 -76.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 64.239999999999995 110.843 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 tptt -83.82 -102.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.905 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -104.43 -92.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 50.409999999999997 110.927 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.522 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.4 m -127.78 -53.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.510000000000005 111.182 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.42 9.13 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.857 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -43.8 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.040000000000006 110.859 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -128.18 53.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.945 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 27' ' ' LEU . 52.7 m-85 -96.09 21.36 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.35 0.88 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.83 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.129999999999995 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -31.71 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -108.27 97.06 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 110.866 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.33 -89.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 71.219999999999999 112.499 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.5 54.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.389 . . . . 72.340000000000003 110.915 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.514 HG23 HD23 ' A' ' 27' ' ' LEU . 5.3 t -52.83 -23.99 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 72.409999999999997 111.151 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 11' ' ' PHE . 2.7 mt -66.07 -24.54 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.882 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.0 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 64.040000000000006 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.73 ' O ' HD13 ' A' ' 7' ' ' ILE . 9.5 t80 -115.67 -24.51 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.010000000000005 110.935 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 6.0 mm-40 -42.54 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.9 tt -134.05 -31.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.135 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -42.36 -34.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 70.349999999999994 111.14 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.87 -23.04 6.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 72.209999999999994 111.132 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.794 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.78 -39.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 73.5 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.76 -25.2 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.859 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -83.15 -35.18 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 63.149999999999999 110.864 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.79 -24.08 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 63.109999999999999 110.909 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -43.47 121.8 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.892 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -48.92 -58.03 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.893 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' ' 18' ' ' LEU . 21.2 tptt -103.9 -88.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.925 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -122.13 -90.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.099999999999994 110.928 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.468 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.9 m -130.67 -59.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 62.119999999999997 111.114 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -127.3 10.67 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.857 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -43.95 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.3 pt? -125.48 50.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 63.350000000000001 110.928 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' GLY . 29.7 m-85 -96.85 16.82 18.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 62.229999999999997 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.69 0.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -57.58 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.873 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.82 -53.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.409999999999997 110.856 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 13.2 p90 -100.21 96.52 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 72.049999999999997 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -49.27 -91.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.430000000000007 112.519 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.13 98.6 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.422 . . . . 72.129999999999995 110.911 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 64.340000000000003 111.138 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.794 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -69.48 -27.98 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.299999999999997 110.937 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 73.319999999999993 110.845 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.309 . . . . 70.439999999999998 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.729 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.9 t80 -116.44 -24.49 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.894 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 33.5 mt-10 -42.46 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.875 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.572 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.95 -31.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 111.14 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -42.35 -34.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.89 -23.05 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.137 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.828 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.74 -39.58 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.43 -25.21 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.539999999999999 110.875 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.21 -35.13 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 64.549999999999997 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -85.74 -21.54 28.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.927 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -44.06 122.81 3.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.855 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.05 -65.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.439999999999998 110.86 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB2' HD21 ' A' ' 18' ' ' LEU . 12.5 tptp -103.61 -82.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.14 -90.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 65.049999999999997 110.949 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.458 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.6 m -131.01 -57.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.109999999999999 111.16 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.29 12.4 6.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.109999999999999 110.839 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.7 pt? -125.86 48.78 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' A' ' 24' ' ' GLY . 32.9 m-85 -95.26 16.47 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.904 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.56 0.41 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.019999999999996 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -71.62 -58.93 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.55 -51.74 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 110.865 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -96.92 95.93 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -47.9 -91.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 72.140000000000001 112.5 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.11 99.17 4.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.398 . . . . 65.540000000000006 110.938 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -12.74 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.158 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.828 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -65.3 -28.28 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.897 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.871 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 63.350000000000001 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.715 ' O ' HD13 ' A' ' 7' ' ' ILE . 12.7 t80 -120.12 -21.58 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -44.47 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 62.409999999999997 110.929 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.554 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.1 tt -134.82 -33.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 74.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -41.57 -34.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 70.150000000000006 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.05 -24.12 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 111.149 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.805 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.3 tp -52.43 -40.2 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 43.119999999999997 111.078 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -50.73 -25.4 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.844 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.68 -35.33 24.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 110.862 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.55 -23.64 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.889 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -43.63 121.96 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 62.409999999999997 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.68 ' NH1' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -48.84 -61.28 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.010000000000005 110.856 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.1 tptt -101.8 -87.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.56 -90.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 35.420000000000002 110.899 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.464 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 m -130.9 -58.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 63.240000000000002 111.177 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.58 10.99 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.842 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.230000000000004 110.886 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.68 HD11 ' NH1' ' A' ' 12' ' ' ARG . 1.5 pt? -125.95 49.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.936 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' O ' ' A' ' 24' ' ' GLY . 25.2 m-85 -96.05 17.21 15.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.55 0.45 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 54.420000000000002 110.843 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -57.66 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.872 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -121.92 -52.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -100.09 95.68 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -48.71 -91.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 62.140000000000001 112.485 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.08 98.28 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.530000000000001 110.921 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.56 -8.22 59.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 52.399999999999999 111.156 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.805 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -72.8 -22.98 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 71.329999999999998 110.898 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.865 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 75.510000000000005 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.683 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.7 t80 -117.5 -25.05 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 74.329999999999998 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mt-10 -42.13 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 70.219999999999999 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.57 -32.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 62.009999999999998 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -42.14 -34.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 60.420000000000002 111.102 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.7 -23.71 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 111.113 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.715 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.47 -40.17 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 60.039999999999999 111.114 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.2 -26.25 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 63.219999999999999 110.865 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -35.17 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -86.42 -20.44 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 62.149999999999999 110.921 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.67 123.18 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.917 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -67.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -79.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.409999999999997 110.914 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -112.51 -94.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 72.150000000000006 110.922 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.449 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.2 m -133.9 -51.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 111.134 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -124.26 5.06 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.419 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -45.87 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 61.329999999999998 110.864 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -125.41 57.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.907 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' C ' ' A' ' 15' ' ' THR . 6.3 m-85 -117.1 23.0 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.895 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -37.11 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.5 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -46.76 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.865 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -126.73 35.4 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -114.3 103.83 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -71.64 77.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.109999999999999 112.464 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -11.9 83.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 72.200000000000003 110.909 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 7.3 t -74.96 -23.75 58.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 111.142 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -84.15 0.66 47.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.958 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.400000000000006 110.825 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.314 . . . . 61.200000000000003 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.724 ' OH ' HD13 ' A' ' 10' ' ' LEU . 63.6 t80 -76.23 68.32 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.894 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 76.5 mt-10 -115.18 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.329999999999998 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' ' C ' ' A' ' 5' ' ' THR . 1.4 tt -138.18 -37.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.8 t -29.7 -49.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 111.157 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 5' ' ' THR . 1.3 t -123.07 -12.46 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 111.145 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -54.36 -38.86 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.049999999999997 111.155 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.79 -27.07 49.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.510000000000005 110.869 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.46 -35.5 73.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.849 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -86.76 -23.59 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.420000000000002 110.93 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 27' ' ' LEU . 1.4 m-30 -44.33 123.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.510000000000005 110.863 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HG3' HD23 ' A' ' 18' ' ' LEU . 3.6 mmt180 -44.03 -72.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 65.319999999999993 110.847 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -107.09 -77.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 62.350000000000001 110.903 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -112.39 -99.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 55.210000000000001 110.923 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 16' ' ' HIS . 1.3 m -137.09 -40.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 15' ' ' THR . 49.7 m80 -129.52 23.99 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 87.1 mtt180 -80.15 -74.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.495 HD23 ' HG3' ' A' ' 12' ' ' ARG . 16.5 tp -93.82 12.36 26.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.924 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CD2' ' C ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -99.82 13.84 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.888 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -128.41 10.31 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 110.857 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -98.73 -60.39 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.826 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.95 -65.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 21.8 p90 -87.27 91.77 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.861 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.17 -88.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -132.75 95.53 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 74.430000000000007 110.877 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -76.55 -18.08 58.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.400000000000006 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -64.79 -46.25 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 72.010000000000005 110.913 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 110.9 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.9 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 61.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.733 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.4 t80 -116.15 -24.78 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.895 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 8.4 mm-40 -42.43 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.230000000000004 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.566 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.99 -31.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 111.148 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -42.19 -34.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -121.02 -23.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.156 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.782 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.58 -40.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.549999999999997 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.75 -25.61 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.864 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -35.51 34.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 52.219999999999999 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.17 -25.05 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.9 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' A' ' 27' ' ' LEU . 1.1 m-30 -43.18 123.38 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.852 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -44.47 -63.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.209999999999994 110.892 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -112.29 -81.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 110.893 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.667 HD22 HH11 ' A' ' 17' ' ' ARG . 0.8 OUTLIER -110.63 -97.53 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 110.951 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.1 m -134.69 -48.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 111.104 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 18.27 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.667 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.98 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.119999999999997 110.891 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -124.94 28.35 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 110.89 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.9 m-85 -83.98 9.61 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.894 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -124.83 7.05 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 110.904 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -83.8 -54.21 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.1 -60.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -89.69 95.9 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.834 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -44.41 -90.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 44.539999999999999 112.473 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -135.89 97.31 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 63.210000000000001 110.946 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -81.6 -10.43 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 74.5 111.138 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -70.85 -18.05 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 53.229999999999997 110.926 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.874 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.699 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.8 t80 -117.13 -25.4 7.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 3.3 mm-40 -41.42 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.109999999999999 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.545 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.35 -33.18 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 52.25 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -40.67 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.150000000000006 111.129 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 -24.27 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 72.049999999999997 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.57 -39.54 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.17 -25.29 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.450000000000003 110.823 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.04 -33.77 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -87.69 -17.23 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 70.310000000000002 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.37 110.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.917 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -47.99 -61.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.851 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HB2' HD21 ' A' ' 18' ' ' LEU . 10.9 tptp -110.47 -81.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.897 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.96 -84.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 45.210000000000001 110.916 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 m -130.02 -64.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 111.133 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.21 8.31 6.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 53.420000000000002 110.864 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.48 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.883 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -126.7 55.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 63.450000000000003 110.95 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 27' ' ' LEU . 24.4 m-85 -101.12 22.14 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.911 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 1.58 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.877 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -70.71 -61.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.936 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -113.18 -38.15 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.6 96.41 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.540000000000006 110.917 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.09 -87.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.819 -0.705 . . . . 42.43 112.427 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 27' ' ' LEU . 1.6 t80 -138.83 55.73 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 74.25 110.981 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' HD11 ' A' ' 10' ' ' LEU . 6.9 t -47.99 -26.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 50.140000000000001 111.171 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' HE1' ' A' ' 11' ' ' PHE . 4.7 mt -50.6 -31.11 14.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 61.409999999999997 110.928 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.727 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.7 t80 -119.48 -23.92 6.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 83.3 mt-10 -42.12 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 62.310000000000002 110.908 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.52 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.2 tt -133.55 -32.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -41.77 -34.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.17 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.71 -24.31 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 111.189 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -52.0 -38.92 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 64.099999999999994 111.094 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -55.41 -24.89 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.823 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -86.73 -33.63 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.040000000000006 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -89.52 -16.47 30.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 65.510000000000005 110.909 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -44.56 112.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.219999999999999 110.882 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -48.24 -64.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 64.030000000000001 110.897 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 18' ' ' LEU . 5.0 tptt -102.7 -87.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -119.61 -83.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.914 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.496 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.3 m -128.84 -64.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 42.219999999999999 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.2 9.73 6.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.329999999999998 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HG2' HD23 ' A' ' 18' ' ' LEU . 1.6 tpt180 -43.36 -79.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.119999999999997 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.562 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.15 56.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 110.908 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HD21 ' A' ' 27' ' ' LEU . 36.2 m-85 -100.14 25.06 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.918 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -130.97 -7.76 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 64.329999999999998 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -60.57 -64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.834 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.61 -47.11 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 63.149999999999999 110.855 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -87.37 94.51 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.17 -90.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 44.240000000000002 112.451 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.3 55.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 72.239999999999995 110.974 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -59.19 -14.43 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 62.130000000000003 111.112 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -72.87 -24.83 60.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.88 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.87 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.816 0.341 . . . . 72.430000000000007 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.747 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.5 t80 -116.93 -22.31 8.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.030000000000001 110.893 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 71.0 mt-10 -42.07 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.129999999999995 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.563 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.7 tt -133.9 -31.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 t -42.6 -33.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.510000000000005 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -122.08 -22.49 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 72.150000000000006 111.148 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.82 -40.12 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 111.1 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -53.84 -23.41 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.85 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.09 -32.12 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 74.439999999999998 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 tp -84.53 -25.59 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 65.519999999999996 110.955 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -39.02 110.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.919 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 4.0 mmt180 -52.1 -52.68 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 71.230000000000004 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.788 ' HE3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -110.38 -87.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.896 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -115.94 -86.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.87 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.495 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.7 m -130.12 -67.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 52.439999999999998 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.41 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.14 9.96 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.854 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.658 ' CG ' HD23 ' A' ' 18' ' ' LEU . 16.0 tpt85 -38.44 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.864 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -129.43 53.29 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 60.020000000000003 110.889 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.817 ' CD1' HD21 ' A' ' 27' ' ' LEU . 21.5 m-85 -89.63 21.8 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.867 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -3.44 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.439999999999998 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -68.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.874 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.65 -33.76 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -103.36 97.33 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.200000000000003 110.851 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.06 -89.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 75.109999999999999 112.525 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HE2' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -138.95 59.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 74.310000000000002 110.939 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.485 HG23 HD23 ' A' ' 27' ' ' LEU . 6.7 t -50.74 -26.14 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.019999999999996 111.174 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.817 HD21 ' CD1' ' A' ' 19' ' ' PHE . 5.0 mt -64.89 -32.67 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.230000000000004 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.89 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 72.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.776 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.6 t80 -119.38 -26.98 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 110.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.3 mm-40 -40.14 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 70.510000000000005 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.539 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.22 -29.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.102 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -41.52 -35.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.134 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.8 t -121.93 -22.87 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 70.340000000000003 111.142 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.776 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.4 -39.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.239999999999995 111.137 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -54.31 -22.68 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 51.530000000000001 110.854 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.17 -30.94 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.26 -23.28 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.030000000000001 110.916 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -41.08 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 62.109999999999999 110.878 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -52.65 -40.73 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.109999999999999 110.888 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.35 -93.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.925 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -112.17 -87.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 110.951 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.498 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.4 m -129.06 -70.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.209999999999994 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.04 13.34 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 110.83 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -40.18 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.886 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.602 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -131.16 51.61 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 63.240000000000002 110.908 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 27' ' ' LEU . 29.1 m-85 -86.8 25.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 63.100000000000001 110.821 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.25 -8.47 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -61.39 -68.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.899 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.25 -37.75 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.64 97.02 8.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.150000000000006 110.88 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -25.72 -90.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 73.049999999999997 112.492 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.13 54.96 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 72.239999999999995 110.944 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 HD23 ' A' ' 27' ' ' LEU . 7.1 t -49.71 -28.17 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 111.151 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 19' ' ' PHE . 6.2 mt -61.64 -34.91 76.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.946 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.914 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.4 pttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 74.329999999999998 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -120.71 -8.05 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 110.914 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 18.5 mm-40 -45.89 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.85 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.616 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 tt -128.16 -20.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 64.219999999999999 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 1' ' ' LYS . 34.8 p -27.33 -52.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.349999999999994 111.139 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -128.91 -5.03 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.8 tp -52.53 -39.36 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 71.200000000000003 111.07 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.9 -26.73 26.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.852 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -80.69 -30.09 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.209999999999994 110.835 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.79 -16.88 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 61.119999999999997 110.901 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -46.26 116.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -59.46 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.230000000000004 110.858 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -92.83 -91.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.897 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.23 -85.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.240000000000002 110.935 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.0 m -128.35 -64.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 52.329999999999998 111.164 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.7 9.76 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 72.510000000000005 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.69 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.409999999999997 110.861 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.8 57.54 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.929 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 45.0 m-85 -102.75 5.17 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 65.019999999999996 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 23.13 5.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 74.099999999999994 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -102.1 -45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.878 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -120.26 -25.84 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.030000000000001 110.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.654 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -108.96 123.29 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 110.863 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.39 85.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 72.109999999999999 112.507 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 24' ' ' GLY . 5.2 t80 -13.93 85.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 73.239999999999995 110.916 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 8.0 t -66.85 -22.67 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.130000000000003 111.088 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 25' ' ' TYR . 4.9 mt -78.37 -8.99 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 71.209999999999994 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.842 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 64.450000000000003 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.695 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.8 t80 -116.99 -23.52 7.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 110.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -42.4 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.129999999999995 110.87 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.26 -33.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 53.350000000000001 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -40.56 -37.5 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.5 111.143 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.38 -24.66 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 70.109999999999999 111.147 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.33 -40.25 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 52.520000000000003 111.128 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.49 -25.79 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.844 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.04 -34.52 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.119999999999997 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -86.41 -18.6 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 110.886 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.65 115.21 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.85 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -65.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.864 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -82.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.891 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -114.23 -91.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.941 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.467 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 m -132.21 -56.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 54.210000000000001 111.193 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -126.22 3.42 7.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.843 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -44.07 -74.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 3.0 tp -126.38 63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.916 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 27' ' ' LEU . 15.4 m-85 -117.77 12.83 14.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 75.299999999999997 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.08 24.85 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 110.86 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' CD ' HD12 ' A' ' 18' ' ' LEU . 2.1 mpt_? -109.03 -61.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.928 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.4 -26.76 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.662 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.63 100.82 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.340000000000003 110.87 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.43 -90.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 73.340000000000003 112.516 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 27' ' ' LEU . 1.7 t80 -141.6 61.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 75.409999999999997 110.929 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -57.81 -18.34 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 63.539999999999999 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -63.66 -18.27 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 72.120000000000005 110.926 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.83 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.801 0.334 . . . . 55.229999999999997 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 7' ' ' ILE . 7.9 t80 -116.07 -24.21 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 70.319999999999993 110.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 59.2 mt-10 -42.35 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 71.25 110.91 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.77 -31.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 t -42.3 -34.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.219999999999999 111.151 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.81 -23.5 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 111.188 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.51 -40.55 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.91 -25.51 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.874 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -82.67 -33.58 27.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 64.209999999999994 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -20.85 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -44.98 107.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.882 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.89 -50.87 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 74.420000000000002 110.871 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HD3' HD23 ' A' ' 18' ' ' LEU . 2.7 tttp -93.28 -96.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.45 -86.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.905 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 m -127.07 -68.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.5 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.19 14.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 55.450000000000003 110.87 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 62.420000000000002 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -129.15 49.2 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.866 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CB ' HD11 ' A' ' 27' ' ' LEU . 66.9 m-85 -87.03 -4.71 59.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.35 20.74 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -96.83 -45.14 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 71.019999999999996 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.93 -22.82 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 110.839 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -109.41 123.37 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.450000000000003 110.884 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.65 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -45.76 88.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 64.129999999999995 112.48 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.65 ' C ' ' O ' ' A' ' 24' ' ' GLY . 45.7 t80 -11.8 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 74.209999999999994 110.942 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' GLY . 6.7 t -85.74 -15.37 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 52.409999999999997 111.135 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 19' ' ' PHE . 1.1 mt -56.35 -20.11 17.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.737 0.303 . . . . 71.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.412 ' HA ' HG22 ' A' ' 6' ' ' THR . 1.3 t80 -114.53 39.27 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.936 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.5 mt-10 -77.47 -81.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 72.430000000000007 110.885 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -137.59 -38.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.138 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 4' ' ' ILE . 5.8 t -46.03 -31.44 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 62.409999999999997 111.166 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.75 -21.86 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 111.166 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.96 -44.74 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.136 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.505 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.96 -27.95 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.858 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.83 -32.02 72.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 65.5 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.731 HD21 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -95.71 -22.67 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.914 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CE1' HD12 ' A' ' 7' ' ' ILE . 2.0 m-30 -38.56 118.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 65.010000000000005 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.03 -70.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 65.129999999999995 110.884 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.2 tptt -94.91 -97.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 63.229999999999997 110.879 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -107.67 -86.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.935 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.9 m -128.14 -59.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.119 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.69 7.79 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.530000000000001 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.536 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.13 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.864 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.35 56.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.916 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' C ' ' A' ' 15' ' ' THR . 31.6 m-85 -99.21 28.22 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -132.28 -15.31 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.219999999999999 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -54.36 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.82 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.79 -44.21 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -90.78 98.05 11.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 110.917 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.16 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 74.150000000000006 112.465 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 27' ' ' LEU . 1.3 t80 -136.78 55.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 62.329999999999998 110.909 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.731 ' CG2' HD21 ' A' ' 10' ' ' LEU . 5.2 t -50.72 -23.93 3.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.114 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.8 HD12 ' CE2' ' A' ' 25' ' ' TYR . 73.8 mt -49.98 -26.04 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 70.310000000000002 110.934 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.540000000000006 110.832 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 73.400000000000006 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.1 t80 -117.67 -24.53 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.010000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -42.0 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 72.299999999999997 110.909 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.7 tt -133.33 -31.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 111.145 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -42.39 -34.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 71.140000000000001 111.141 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -24.03 6.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 74.120000000000005 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -51.04 -41.33 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 74.219999999999999 111.144 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.452 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.98 -26.67 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.884 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.4 -34.08 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.519999999999996 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -22.72 24.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 64.109999999999999 110.899 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.5 m-30 -43.38 120.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.510000000000005 110.891 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -56.42 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 62.049999999999997 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.87 -96.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 110.843 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.65 -85.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.959 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.521 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 3.3 m -127.25 -64.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.510000000000005 111.151 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.78 5.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 75.319999999999993 110.868 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.08 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.040000000000006 110.847 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 17' ' ' ARG . 1.4 pt? -126.09 52.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.891 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CG ' HD11 ' A' ' 27' ' ' LEU . 72.9 m-85 -91.23 -1.98 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.889 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 30.32 5.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -118.95 -39.09 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.879 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.89 -33.26 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.695 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.89 124.62 45.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.9 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.31 88.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 64.530000000000001 112.485 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' C ' ' O ' ' A' ' 24' ' ' GLY . 21.8 t80 -16.38 88.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 73.010000000000005 110.882 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -95.21 -8.22 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.299999999999997 111.149 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.98 -26.83 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 110.926 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.881 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 73.239999999999995 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.74 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.6 t80 -116.32 -27.38 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 70.310000000000002 110.925 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 41.9 mt-10 -42.12 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.48 -31.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.450000000000003 111.169 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -39.24 -37.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.420000000000002 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.3 t -120.07 -23.97 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.139 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.42 -39.54 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 111.118 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -24.65 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 72.200000000000003 110.865 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.36 -36.52 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.43 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.33 -18.54 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.903 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD13 ' A' ' 27' ' ' LEU . 1.2 m-30 -31.3 108.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.9 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 10.3 tpt180 -61.4 -71.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HG2' HD23 ' A' ' 18' ' ' LEU . 14.3 tptm -78.35 -123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 53.030000000000001 110.933 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -96.56 -82.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.894 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.527 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 m -125.7 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.143 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 16.64 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 11.4 mtt180 -49.44 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.842 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.24 48.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 110.893 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.726 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 85.4 m-85 -88.85 -3.53 58.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 110.89 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 2.1 ppt_? -128.93 29.75 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 110.855 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -116.83 -40.78 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.876 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.48 -31.69 6.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 51.530000000000001 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.84 124.88 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.873 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.28 87.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 41.109999999999999 112.458 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' C ' ' O ' ' A' ' 24' ' ' GLY . 15.0 t80 -16.12 88.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 72.349999999999994 110.974 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -92.17 -8.69 44.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 75.439999999999998 111.108 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 19' ' ' PHE . 2.2 mt -52.71 -23.05 5.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 71.409999999999997 110.911 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.853 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 71.329999999999998 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.664 ' OH ' HD13 ' A' ' 10' ' ' LEU . 1.9 t80 -62.68 -16.96 59.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.1 pt-20 -30.28 137.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 74.010000000000005 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 1.6 tt -24.41 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 64.049999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -37.61 -37.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 74.010000000000005 111.126 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.04 -16.61 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 111.157 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.84 -32.65 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.138 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.16 62.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.854 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -62.6 -22.48 66.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.664 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -101.36 -19.92 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.030000000000001 110.913 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.849 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.1 m-30 -40.35 115.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.32 -74.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.905 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.2 tptt -81.78 -106.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 62.140000000000001 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -103.53 -89.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.923 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.518 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.5 m -127.65 -56.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.124 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.49 10.55 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -44.8 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.030000000000001 110.886 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.85 52.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 62.340000000000003 110.908 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 27' ' ' LEU . 56.7 m-85 -95.51 21.44 8.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.539999999999999 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -0.55 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.420000000000002 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -33.39 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -107.32 97.41 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.882 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.53 -88.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 74.430000000000007 112.457 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.0 56.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 74.430000000000007 110.931 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.543 HG21 HD21 ' A' ' 10' ' ' LEU . 4.4 t -53.86 -23.07 11.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 75.430000000000007 111.144 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.849 HD22 ' CE1' ' A' ' 11' ' ' PHE . 1.5 mt -67.03 -21.7 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.899 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 pttt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.776 0.322 . . . . 74.420000000000002 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.718 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.9 t80 -119.13 -24.65 6.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 73.430000000000007 110.942 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 30.2 mt-10 -42.59 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.9 tt -133.24 -32.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 111.178 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -41.65 -34.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 41.200000000000003 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -23.32 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 111.156 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -54.76 -38.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.150000000000006 111.101 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -24.72 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.913 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -73.69 -35.53 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.46 -20.58 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.913 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.741 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.8 m-30 -33.3 111.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -50.45 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HG2' HD23 ' A' ' 18' ' ' LEU . 8.1 tptt -88.58 -124.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 62.350000000000001 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -101.58 -84.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.901 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.6 m -125.94 -63.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 64.140000000000001 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -132.83 16.16 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.329999999999998 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.200000000000003 110.84 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -125.54 46.29 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.934 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.718 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 87.5 m-85 -82.16 -0.8 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.875 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.19 23.85 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -110.86 -49.52 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -102.4 -31.0 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 51.109999999999999 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.54 123.26 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 73.450000000000003 110.874 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -48.2 88.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 74.140000000000001 112.498 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.63 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 t80 -15.77 86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 74.349999999999994 110.94 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' GLY . 3.7 t -87.37 -11.54 48.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.230000000000004 111.141 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -57.5 -19.53 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.925 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.871 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 75.319999999999993 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -122.28 -8.37 8.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.0 mm-40 -46.04 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.506 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -137.14 -37.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.420000000000002 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -44.75 -30.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 51.409999999999997 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.29 -24.32 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 111.146 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -50.69 -44.54 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.210000000000001 111.093 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.514 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -51.17 -27.85 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.868 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -32.75 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.858 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -22.73 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.723 ' CD1' HD12 ' A' ' 7' ' ' ILE . 1.3 m-30 -41.37 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.89 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -62.48 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 62.43 110.893 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 tptt -87.17 -98.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 70.099999999999994 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -114.14 -85.4 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.908 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.531 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 m -127.47 -63.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 111.164 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.0 11.88 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.866 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -45.77 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.340000000000003 110.89 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -126.6 54.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 56.4 m-85 -95.93 -2.49 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 26.82 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -107.24 -43.05 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -120.13 -25.0 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.848 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -113.1 122.81 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.888 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.12 86.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 74.209999999999994 112.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.635 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t80 -14.55 84.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 73.310000000000002 110.929 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.668 HG23 HD23 ' A' ' 27' ' ' LEU . 10.1 t -67.34 -20.72 65.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 111.111 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 26' ' ' THR . 3.0 mt -79.94 -5.58 55.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.89 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.865 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.341 . . . . 63.549999999999997 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 10' ' ' LEU . 2.6 t80 -108.06 -16.72 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.931 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.752 ' HG2' HG23 ' A' ' 5' ' ' THR . 13.8 tt0 -31.94 139.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.329999999999998 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.56 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -22.98 -45.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 111.158 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.752 HG23 ' HG2' ' A' ' 3' ' ' GLU . 70.9 p -34.23 -42.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.09 -19.53 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 111.115 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -56.67 -34.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.144 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.35 -24.54 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.049999999999997 110.828 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.4 -26.81 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 72.409999999999997 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -95.46 -20.37 19.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.219999999999999 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.0 m-30 -41.47 116.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.866 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -60.1 -76.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 64.239999999999995 110.843 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 tptt -83.82 -102.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.905 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -104.43 -92.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 50.409999999999997 110.927 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.522 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.4 m -127.78 -53.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.510000000000005 111.182 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.42 9.13 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.857 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -43.8 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.040000000000006 110.859 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -128.18 53.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.945 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 27' ' ' LEU . 52.7 m-85 -96.09 21.36 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.35 0.88 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.83 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.129999999999995 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -31.71 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -108.27 97.06 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 110.866 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.33 -89.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 71.219999999999999 112.499 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.5 54.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.389 . . . . 72.340000000000003 110.915 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.514 HG23 HD23 ' A' ' 27' ' ' LEU . 5.3 t -52.83 -23.99 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 72.409999999999997 111.151 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 11' ' ' PHE . 2.7 mt -66.07 -24.54 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.882 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.0 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 64.040000000000006 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.73 ' O ' HD13 ' A' ' 7' ' ' ILE . 9.5 t80 -115.67 -24.51 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.010000000000005 110.935 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 6.0 mm-40 -42.54 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.581 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.9 tt -134.05 -31.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.135 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -42.36 -34.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 70.349999999999994 111.14 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.87 -23.04 6.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 72.209999999999994 111.132 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.794 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.78 -39.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 73.5 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.76 -25.2 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.859 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -83.15 -35.18 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 63.149999999999999 110.864 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.79 -24.08 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 63.109999999999999 110.909 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -43.47 121.8 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.892 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -48.92 -58.03 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.893 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' ' 18' ' ' LEU . 21.2 tptt -103.9 -88.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.925 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -122.13 -90.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.099999999999994 110.928 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.468 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.9 m -130.67 -59.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 62.119999999999997 111.114 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -127.3 10.67 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.857 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -43.95 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.3 pt? -125.48 50.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 63.350000000000001 110.928 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' GLY . 29.7 m-85 -96.85 16.82 18.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 62.229999999999997 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.69 0.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -57.58 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.873 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.82 -53.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.409999999999997 110.856 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 13.2 p90 -100.21 96.52 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 72.049999999999997 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -49.27 -91.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.430000000000007 112.519 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.13 98.6 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.422 . . . . 72.129999999999995 110.911 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 64.340000000000003 111.138 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.794 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -69.48 -27.98 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.299999999999997 110.937 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 73.319999999999993 110.845 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.309 . . . . 70.439999999999998 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.729 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.9 t80 -116.44 -24.49 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.894 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 33.5 mt-10 -42.46 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.875 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.572 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.95 -31.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 111.14 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -42.35 -34.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.89 -23.05 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.137 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.828 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.74 -39.58 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.43 -25.21 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.539999999999999 110.875 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.21 -35.13 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 64.549999999999997 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -85.74 -21.54 28.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.927 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -44.06 122.81 3.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.855 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.05 -65.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.439999999999998 110.86 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB2' HD21 ' A' ' 18' ' ' LEU . 12.5 tptp -103.61 -82.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.14 -90.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 65.049999999999997 110.949 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.458 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.6 m -131.01 -57.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.109999999999999 111.16 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.29 12.4 6.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.109999999999999 110.839 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.7 pt? -125.86 48.78 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' A' ' 24' ' ' GLY . 32.9 m-85 -95.26 16.47 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.904 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.56 0.41 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.019999999999996 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -71.62 -58.93 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.55 -51.74 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 110.865 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -96.92 95.93 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -47.9 -91.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 72.140000000000001 112.5 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.11 99.17 4.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.398 . . . . 65.540000000000006 110.938 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -12.74 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.158 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.828 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -65.3 -28.28 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.897 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.871 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 63.350000000000001 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.715 ' O ' HD13 ' A' ' 7' ' ' ILE . 12.7 t80 -120.12 -21.58 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -44.47 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 62.409999999999997 110.929 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.554 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.1 tt -134.82 -33.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 74.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -41.57 -34.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 70.150000000000006 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.05 -24.12 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 111.149 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.805 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.3 tp -52.43 -40.2 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 43.119999999999997 111.078 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -50.73 -25.4 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.844 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.68 -35.33 24.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 110.862 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.55 -23.64 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.889 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -43.63 121.96 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 62.409999999999997 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.68 ' NH1' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -48.84 -61.28 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.010000000000005 110.856 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.1 tptt -101.8 -87.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.56 -90.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 35.420000000000002 110.899 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.464 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 m -130.9 -58.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 63.240000000000002 111.177 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.58 10.99 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.842 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.230000000000004 110.886 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.68 HD11 ' NH1' ' A' ' 12' ' ' ARG . 1.5 pt? -125.95 49.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.936 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' O ' ' A' ' 24' ' ' GLY . 25.2 m-85 -96.05 17.21 15.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.55 0.45 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 54.420000000000002 110.843 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -57.66 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.872 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -121.92 -52.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -100.09 95.68 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -48.71 -91.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 62.140000000000001 112.485 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.08 98.28 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.530000000000001 110.921 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.56 -8.22 59.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 52.399999999999999 111.156 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.805 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -72.8 -22.98 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 71.329999999999998 110.898 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.865 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 75.510000000000005 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.683 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.7 t80 -117.5 -25.05 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 74.329999999999998 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mt-10 -42.13 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 70.219999999999999 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.557 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.57 -32.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 62.009999999999998 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -42.14 -34.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 60.420000000000002 111.102 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.7 -23.71 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 111.113 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.715 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.47 -40.17 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 60.039999999999999 111.114 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.2 -26.25 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 63.219999999999999 110.865 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -35.17 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -86.42 -20.44 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 62.149999999999999 110.921 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.67 123.18 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.917 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -67.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -79.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.409999999999997 110.914 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -112.51 -94.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 72.150000000000006 110.922 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.449 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.2 m -133.9 -51.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 111.134 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -124.26 5.06 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.419 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -45.87 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 61.329999999999998 110.864 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -125.41 57.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.907 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' C ' ' A' ' 15' ' ' THR . 6.3 m-85 -117.1 23.0 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.895 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -37.11 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.5 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -46.76 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.865 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -126.73 35.4 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -114.3 103.83 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -71.64 77.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.109999999999999 112.464 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -11.9 83.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 72.200000000000003 110.909 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 7.3 t -74.96 -23.75 58.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 111.142 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -84.15 0.66 47.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.958 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.400000000000006 110.825 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.314 . . . . 61.200000000000003 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.724 ' OH ' HD13 ' A' ' 10' ' ' LEU . 63.6 t80 -76.23 68.32 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.894 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 76.5 mt-10 -115.18 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.329999999999998 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' ' C ' ' A' ' 5' ' ' THR . 1.4 tt -138.18 -37.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.8 t -29.7 -49.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 111.157 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 5' ' ' THR . 1.3 t -123.07 -12.46 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 111.145 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -54.36 -38.86 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.049999999999997 111.155 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.79 -27.07 49.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.510000000000005 110.869 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.46 -35.5 73.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.849 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -86.76 -23.59 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.420000000000002 110.93 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 27' ' ' LEU . 1.4 m-30 -44.33 123.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.510000000000005 110.863 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HG3' HD23 ' A' ' 18' ' ' LEU . 3.6 mmt180 -44.03 -72.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 65.319999999999993 110.847 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -107.09 -77.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 62.350000000000001 110.903 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -112.39 -99.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 55.210000000000001 110.923 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 16' ' ' HIS . 1.3 m -137.09 -40.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 15' ' ' THR . 49.7 m80 -129.52 23.99 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 87.1 mtt180 -80.15 -74.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.495 HD23 ' HG3' ' A' ' 12' ' ' ARG . 16.5 tp -93.82 12.36 26.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.924 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CD2' ' C ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -99.82 13.84 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.888 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -128.41 10.31 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 110.857 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -98.73 -60.39 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.826 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.95 -65.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 21.8 p90 -87.27 91.77 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.861 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.17 -88.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -132.75 95.53 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 74.430000000000007 110.877 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -76.55 -18.08 58.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.400000000000006 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -64.79 -46.25 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 72.010000000000005 110.913 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 110.9 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.9 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 61.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.733 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.4 t80 -116.15 -24.78 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.895 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 8.4 mm-40 -42.43 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.230000000000004 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.566 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.99 -31.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 111.148 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -42.19 -34.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -121.02 -23.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.156 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.782 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.58 -40.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.549999999999997 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.75 -25.61 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.864 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -35.51 34.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 52.219999999999999 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.17 -25.05 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.9 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' A' ' 27' ' ' LEU . 1.1 m-30 -43.18 123.38 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.852 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -44.47 -63.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.209999999999994 110.892 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -112.29 -81.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 110.893 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.667 HD22 HH11 ' A' ' 17' ' ' ARG . 0.8 OUTLIER -110.63 -97.53 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 110.951 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.1 m -134.69 -48.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 111.104 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' A' ' 15' ' ' THR . 0.9 OUTLIER -128.19 18.27 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.904 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.667 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.98 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.119999999999997 110.891 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -124.94 28.35 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 110.89 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.9 m-85 -83.98 9.61 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.894 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -124.83 7.05 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 110.904 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -83.8 -54.21 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.1 -60.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -89.69 95.9 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.834 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -44.41 -90.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 44.539999999999999 112.473 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -135.89 97.31 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 63.210000000000001 110.946 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -81.6 -10.43 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 74.5 111.138 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.782 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -70.85 -18.05 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 53.229999999999997 110.926 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.874 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.699 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.8 t80 -117.13 -25.4 7.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 3.3 mm-40 -41.42 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.109999999999999 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.545 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.35 -33.18 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 52.25 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -40.67 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.150000000000006 111.129 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 -24.27 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 72.049999999999997 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.57 -39.54 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.17 -25.29 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.450000000000003 110.823 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.04 -33.77 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -87.69 -17.23 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 70.310000000000002 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.37 110.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.917 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -47.99 -61.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.851 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HB2' HD21 ' A' ' 18' ' ' LEU . 10.9 tptp -110.47 -81.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.897 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.96 -84.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 45.210000000000001 110.916 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 m -130.02 -64.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 111.133 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.21 8.31 6.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 53.420000000000002 110.864 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.48 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.883 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -126.7 55.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 63.450000000000003 110.95 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 27' ' ' LEU . 24.4 m-85 -101.12 22.14 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.911 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 1.58 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.877 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -70.71 -61.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.936 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -113.18 -38.15 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.6 96.41 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.540000000000006 110.917 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.09 -87.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.819 -0.705 . . . . 42.43 112.427 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 27' ' ' LEU . 1.6 t80 -138.83 55.73 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 74.25 110.981 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' HD11 ' A' ' 10' ' ' LEU . 6.9 t -47.99 -26.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 50.140000000000001 111.171 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' HE1' ' A' ' 11' ' ' PHE . 4.7 mt -50.6 -31.11 14.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 61.409999999999997 110.928 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.727 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.7 t80 -119.48 -23.92 6.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 83.3 mt-10 -42.12 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 62.310000000000002 110.908 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.52 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.2 tt -133.55 -32.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -41.77 -34.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.17 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.71 -24.31 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 111.189 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -52.0 -38.92 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 64.099999999999994 111.094 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -55.41 -24.89 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.823 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -86.73 -33.63 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.040000000000006 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -89.52 -16.47 30.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 65.510000000000005 110.909 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -44.56 112.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.219999999999999 110.882 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -48.24 -64.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 64.030000000000001 110.897 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 18' ' ' LEU . 5.0 tptt -102.7 -87.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -119.61 -83.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.914 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.496 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.3 m -128.84 -64.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 42.219999999999999 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.2 9.73 6.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.329999999999998 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HG2' HD23 ' A' ' 18' ' ' LEU . 1.6 tpt180 -43.36 -79.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.119999999999997 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.562 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.15 56.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 110.908 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HD21 ' A' ' 27' ' ' LEU . 36.2 m-85 -100.14 25.06 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.918 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -130.97 -7.76 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 64.329999999999998 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -60.57 -64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.834 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.61 -47.11 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 63.149999999999999 110.855 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -87.37 94.51 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.17 -90.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 44.240000000000002 112.451 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.3 55.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 72.239999999999995 110.974 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -59.19 -14.43 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 62.130000000000003 111.112 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -72.87 -24.83 60.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.88 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.87 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.816 0.341 . . . . 72.430000000000007 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.747 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.5 t80 -116.93 -22.31 8.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.030000000000001 110.893 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 71.0 mt-10 -42.07 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.129999999999995 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.563 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.7 tt -133.9 -31.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 t -42.6 -33.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.510000000000005 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -122.08 -22.49 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 72.150000000000006 111.148 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.82 -40.12 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 111.1 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -53.84 -23.41 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.85 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.09 -32.12 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 74.439999999999998 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 tp -84.53 -25.59 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 65.519999999999996 110.955 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -39.02 110.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.919 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 4.0 mmt180 -52.1 -52.68 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 71.230000000000004 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.788 ' HE3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -110.38 -87.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.896 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -115.94 -86.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.87 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.495 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.7 m -130.12 -67.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 52.439999999999998 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.41 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.14 9.96 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.854 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.658 ' CG ' HD23 ' A' ' 18' ' ' LEU . 16.0 tpt85 -38.44 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.864 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -129.43 53.29 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 60.020000000000003 110.889 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.817 ' CD1' HD21 ' A' ' 27' ' ' LEU . 21.5 m-85 -89.63 21.8 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.867 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -3.44 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.439999999999998 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -68.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.874 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.65 -33.76 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -103.36 97.33 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.200000000000003 110.851 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.06 -89.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 75.109999999999999 112.525 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HE2' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -138.95 59.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 74.310000000000002 110.939 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.485 HG23 HD23 ' A' ' 27' ' ' LEU . 6.7 t -50.74 -26.14 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.019999999999996 111.174 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.817 HD21 ' CD1' ' A' ' 19' ' ' PHE . 5.0 mt -64.89 -32.67 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.230000000000004 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.89 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 72.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.776 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.6 t80 -119.38 -26.98 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 110.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.3 mm-40 -40.14 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 70.510000000000005 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.539 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.22 -29.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.102 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -41.52 -35.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.134 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.8 t -121.93 -22.87 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 70.340000000000003 111.142 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.776 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.4 -39.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.239999999999995 111.137 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -54.31 -22.68 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 51.530000000000001 110.854 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.17 -30.94 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.26 -23.28 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.030000000000001 110.916 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -41.08 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 62.109999999999999 110.878 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -52.65 -40.73 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.109999999999999 110.888 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.35 -93.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.925 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -112.17 -87.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 110.951 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.498 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.4 m -129.06 -70.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.209999999999994 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.04 13.34 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 110.83 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.602 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -40.18 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.886 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.602 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -131.16 51.61 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 63.240000000000002 110.908 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 27' ' ' LEU . 29.1 m-85 -86.8 25.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 63.100000000000001 110.821 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.25 -8.47 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -61.39 -68.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.899 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.25 -37.75 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.64 97.02 8.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.150000000000006 110.88 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -25.72 -90.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 73.049999999999997 112.492 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.13 54.96 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 72.239999999999995 110.944 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 HD23 ' A' ' 27' ' ' LEU . 7.1 t -49.71 -28.17 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 111.151 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 19' ' ' PHE . 6.2 mt -61.64 -34.91 76.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.946 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.914 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.4 pttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 74.329999999999998 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -120.71 -8.05 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 110.914 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 18.5 mm-40 -45.89 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.85 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.616 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 tt -128.16 -20.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 64.219999999999999 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 1' ' ' LYS . 34.8 p -27.33 -52.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.349999999999994 111.139 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -128.91 -5.03 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.8 tp -52.53 -39.36 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 71.200000000000003 111.07 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.9 -26.73 26.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.852 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -80.69 -30.09 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.209999999999994 110.835 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.79 -16.88 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 61.119999999999997 110.901 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -46.26 116.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -59.46 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.230000000000004 110.858 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -92.83 -91.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.897 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.23 -85.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.240000000000002 110.935 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.0 m -128.35 -64.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 52.329999999999998 111.164 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.7 9.76 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 72.510000000000005 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.69 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.409999999999997 110.861 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.8 57.54 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.929 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 45.0 m-85 -102.75 5.17 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 65.019999999999996 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 23.13 5.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 74.099999999999994 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -102.1 -45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.878 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -120.26 -25.84 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.030000000000001 110.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.654 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -108.96 123.29 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 110.863 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.39 85.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 72.109999999999999 112.507 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 24' ' ' GLY . 5.2 t80 -13.93 85.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 73.239999999999995 110.916 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 8.0 t -66.85 -22.67 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.130000000000003 111.088 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 25' ' ' TYR . 4.9 mt -78.37 -8.99 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 71.209999999999994 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.842 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 64.450000000000003 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.695 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.8 t80 -116.99 -23.52 7.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 110.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -42.4 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.129999999999995 110.87 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.26 -33.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 53.350000000000001 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -40.56 -37.5 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.5 111.143 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.38 -24.66 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 70.109999999999999 111.147 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.33 -40.25 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 52.520000000000003 111.128 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.49 -25.79 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.844 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.04 -34.52 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.119999999999997 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -86.41 -18.6 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 110.886 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.527 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.65 115.21 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.85 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -65.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.864 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -82.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.891 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -114.23 -91.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.941 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.467 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 m -132.21 -56.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 54.210000000000001 111.193 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -126.22 3.42 7.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.843 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -44.07 -74.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 3.0 tp -126.38 63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.916 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 27' ' ' LEU . 15.4 m-85 -117.77 12.83 14.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 75.299999999999997 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.08 24.85 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 110.86 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' CD ' HD12 ' A' ' 18' ' ' LEU . 2.1 mpt_? -109.03 -61.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.928 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.4 -26.76 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.662 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.63 100.82 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.340000000000003 110.87 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.43 -90.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 73.340000000000003 112.516 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 27' ' ' LEU . 1.7 t80 -141.6 61.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 75.409999999999997 110.929 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -57.81 -18.34 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 63.539999999999999 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -63.66 -18.27 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 72.120000000000005 110.926 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.83 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.801 0.334 . . . . 55.229999999999997 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 7' ' ' ILE . 7.9 t80 -116.07 -24.21 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 70.319999999999993 110.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.536 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 59.2 mt-10 -42.35 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 71.25 110.91 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.77 -31.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 t -42.3 -34.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.219999999999999 111.151 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.81 -23.5 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 111.188 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.51 -40.55 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.91 -25.51 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.874 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -82.67 -33.58 27.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 64.209999999999994 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -20.85 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -44.98 107.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.882 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.89 -50.87 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 74.420000000000002 110.871 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HD3' HD23 ' A' ' 18' ' ' LEU . 2.7 tttp -93.28 -96.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.45 -86.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.905 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 m -127.07 -68.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.5 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.19 14.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 55.450000000000003 110.87 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 62.420000000000002 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -129.15 49.2 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.866 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CB ' HD11 ' A' ' 27' ' ' LEU . 66.9 m-85 -87.03 -4.71 59.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.35 20.74 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -96.83 -45.14 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 71.019999999999996 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.93 -22.82 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 110.839 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -109.41 123.37 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.450000000000003 110.884 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.65 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -45.76 88.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 64.129999999999995 112.48 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.65 ' C ' ' O ' ' A' ' 24' ' ' GLY . 45.7 t80 -11.8 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 74.209999999999994 110.942 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' GLY . 6.7 t -85.74 -15.37 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 52.409999999999997 111.135 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 19' ' ' PHE . 1.1 mt -56.35 -20.11 17.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.737 0.303 . . . . 71.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.412 ' HA ' HG22 ' A' ' 6' ' ' THR . 1.3 t80 -114.53 39.27 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.936 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.5 mt-10 -77.47 -81.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 72.430000000000007 110.885 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -137.59 -38.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.138 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 4' ' ' ILE . 5.8 t -46.03 -31.44 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 62.409999999999997 111.166 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.75 -21.86 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 111.166 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.96 -44.74 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.136 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.505 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.96 -27.95 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.858 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.83 -32.02 72.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 65.5 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.731 HD21 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -95.71 -22.67 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.914 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CE1' HD12 ' A' ' 7' ' ' ILE . 2.0 m-30 -38.56 118.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 65.010000000000005 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.03 -70.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 65.129999999999995 110.884 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.2 tptt -94.91 -97.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 63.229999999999997 110.879 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -107.67 -86.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.935 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.9 m -128.14 -59.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.119 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.69 7.79 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.530000000000001 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.536 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.13 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.864 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.35 56.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.916 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' C ' ' A' ' 15' ' ' THR . 31.6 m-85 -99.21 28.22 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -132.28 -15.31 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.219999999999999 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -54.36 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.82 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.79 -44.21 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -90.78 98.05 11.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 110.917 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.16 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 74.150000000000006 112.465 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 27' ' ' LEU . 1.3 t80 -136.78 55.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 62.329999999999998 110.909 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.731 ' CG2' HD21 ' A' ' 10' ' ' LEU . 5.2 t -50.72 -23.93 3.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.114 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.8 HD12 ' CE2' ' A' ' 25' ' ' TYR . 73.8 mt -49.98 -26.04 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 70.310000000000002 110.934 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.540000000000006 110.832 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 73.400000000000006 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.1 t80 -117.67 -24.53 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.010000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -42.0 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 72.299999999999997 110.909 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.7 tt -133.33 -31.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 111.145 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -42.39 -34.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 71.140000000000001 111.141 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -24.03 6.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 74.120000000000005 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -51.04 -41.33 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 74.219999999999999 111.144 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.452 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.98 -26.67 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.884 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.4 -34.08 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.519999999999996 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -22.72 24.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 64.109999999999999 110.899 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.5 m-30 -43.38 120.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.510000000000005 110.891 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -56.42 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 62.049999999999997 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.87 -96.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 110.843 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.65 -85.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.959 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.521 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 3.3 m -127.25 -64.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.510000000000005 111.151 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.78 5.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 75.319999999999993 110.868 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.08 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.040000000000006 110.847 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 17' ' ' ARG . 1.4 pt? -126.09 52.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.891 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CG ' HD11 ' A' ' 27' ' ' LEU . 72.9 m-85 -91.23 -1.98 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.889 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 30.32 5.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -118.95 -39.09 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.879 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.89 -33.26 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.695 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.89 124.62 45.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.9 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.31 88.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 64.530000000000001 112.485 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' C ' ' O ' ' A' ' 24' ' ' GLY . 21.8 t80 -16.38 88.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 73.010000000000005 110.882 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -95.21 -8.22 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.299999999999997 111.149 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.98 -26.83 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 110.926 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.881 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 73.239999999999995 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.74 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.6 t80 -116.32 -27.38 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 70.310000000000002 110.925 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 41.9 mt-10 -42.12 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.48 -31.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.450000000000003 111.169 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -39.24 -37.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.420000000000002 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.3 t -120.07 -23.97 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.139 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.42 -39.54 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 111.118 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -24.65 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 72.200000000000003 110.865 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.36 -36.52 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.43 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.33 -18.54 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.903 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD13 ' A' ' 27' ' ' LEU . 1.2 m-30 -31.3 108.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.9 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 10.3 tpt180 -61.4 -71.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HG2' HD23 ' A' ' 18' ' ' LEU . 14.3 tptm -78.35 -123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 53.030000000000001 110.933 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -96.56 -82.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.894 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.527 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 m -125.7 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.143 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 16.64 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 11.4 mtt180 -49.44 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.842 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.24 48.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 110.893 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.726 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 85.4 m-85 -88.85 -3.53 58.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 110.89 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 2.1 ppt_? -128.93 29.75 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 110.855 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -116.83 -40.78 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.876 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.48 -31.69 6.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 51.530000000000001 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.84 124.88 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.873 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.28 87.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 41.109999999999999 112.458 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' C ' ' O ' ' A' ' 24' ' ' GLY . 15.0 t80 -16.12 88.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 72.349999999999994 110.974 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -92.17 -8.69 44.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 75.439999999999998 111.108 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 19' ' ' PHE . 2.2 mt -52.71 -23.05 5.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 71.409999999999997 110.911 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.853 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 71.329999999999998 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.664 ' OH ' HD13 ' A' ' 10' ' ' LEU . 1.9 t80 -62.68 -16.96 59.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.1 pt-20 -30.28 137.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 74.010000000000005 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 1.6 tt -24.41 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 64.049999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -37.61 -37.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 74.010000000000005 111.126 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.04 -16.61 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 111.157 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.84 -32.65 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.138 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.16 62.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.854 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -62.6 -22.48 66.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.664 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -101.36 -19.92 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.030000000000001 110.913 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.849 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.1 m-30 -40.35 115.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.32 -74.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.905 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.2 tptt -81.78 -106.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 62.140000000000001 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -103.53 -89.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.923 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.518 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.5 m -127.65 -56.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.124 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.49 10.55 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -44.8 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.030000000000001 110.886 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.85 52.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 62.340000000000003 110.908 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 27' ' ' LEU . 56.7 m-85 -95.51 21.44 8.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.539999999999999 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -0.55 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.420000000000002 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -33.39 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -107.32 97.41 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.882 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.53 -88.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 74.430000000000007 112.457 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.0 56.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 74.430000000000007 110.931 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.543 HG21 HD21 ' A' ' 10' ' ' LEU . 4.4 t -53.86 -23.07 11.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 75.430000000000007 111.144 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.849 HD22 ' CE1' ' A' ' 11' ' ' PHE . 1.5 mt -67.03 -21.7 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.899 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 pttt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.776 0.322 . . . . 74.420000000000002 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.718 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.9 t80 -119.13 -24.65 6.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 73.430000000000007 110.942 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 30.2 mt-10 -42.59 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.9 tt -133.24 -32.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 111.178 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -41.65 -34.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 41.200000000000003 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -23.32 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 111.156 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -54.76 -38.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.150000000000006 111.101 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -24.72 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.913 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -73.69 -35.53 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.46 -20.58 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.913 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.741 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.8 m-30 -33.3 111.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -50.45 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HG2' HD23 ' A' ' 18' ' ' LEU . 8.1 tptt -88.58 -124.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 62.350000000000001 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -101.58 -84.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.901 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.6 m -125.94 -63.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 64.140000000000001 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -132.83 16.16 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.329999999999998 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.200000000000003 110.84 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -125.54 46.29 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.934 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.718 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 87.5 m-85 -82.16 -0.8 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.875 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.19 23.85 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -110.86 -49.52 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -102.4 -31.0 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 51.109999999999999 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.54 123.26 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 73.450000000000003 110.874 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -48.2 88.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 74.140000000000001 112.498 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.63 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 t80 -15.77 86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 74.349999999999994 110.94 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' GLY . 3.7 t -87.37 -11.54 48.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.230000000000004 111.141 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -57.5 -19.53 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.925 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.871 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 75.319999999999993 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -122.28 -8.37 8.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.0 mm-40 -46.04 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.506 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -137.14 -37.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.420000000000002 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -44.75 -30.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 51.409999999999997 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.29 -24.32 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 111.146 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -50.69 -44.54 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.210000000000001 111.093 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.514 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -51.17 -27.85 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.868 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -32.75 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.858 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -22.73 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.723 ' CD1' HD12 ' A' ' 7' ' ' ILE . 1.3 m-30 -41.37 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.89 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -62.48 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 62.43 110.893 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 tptt -87.17 -98.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 70.099999999999994 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -114.14 -85.4 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.908 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.531 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 m -127.47 -63.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 111.164 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.0 11.88 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.866 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -45.77 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.340000000000003 110.89 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -126.6 54.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 56.4 m-85 -95.93 -2.49 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 26.82 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -107.24 -43.05 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -120.13 -25.0 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.848 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -113.1 122.81 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.888 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.12 86.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 74.209999999999994 112.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.635 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t80 -14.55 84.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 73.310000000000002 110.929 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.668 HG23 HD23 ' A' ' 27' ' ' LEU . 10.1 t -67.34 -20.72 65.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 111.111 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 26' ' ' THR . 3.0 mt -79.94 -5.58 55.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.89 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.865 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.341 . . . . 63.549999999999997 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 10' ' ' LEU . 2.6 t80 -108.06 -16.72 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.931 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.752 ' HG2' HG23 ' A' ' 5' ' ' THR . 13.8 tt0 -31.94 139.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.329999999999998 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.56 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -22.98 -45.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 111.158 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.752 HG23 ' HG2' ' A' ' 3' ' ' GLU . 70.9 p -34.23 -42.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.09 -19.53 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 111.115 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -56.67 -34.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.144 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.35 -24.54 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.049999999999997 110.828 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.4 -26.81 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 72.409999999999997 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.626 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -95.46 -20.37 19.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.219999999999999 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.0 m-30 -41.47 116.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.866 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -60.1 -76.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 64.239999999999995 110.843 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 tptt -83.82 -102.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.905 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -104.43 -92.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 50.409999999999997 110.927 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.522 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.4 m -127.78 -53.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.510000000000005 111.182 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.42 9.13 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.857 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -43.8 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.040000000000006 110.859 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -128.18 53.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.945 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 27' ' ' LEU . 52.7 m-85 -96.09 21.36 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.35 0.88 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.83 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.129999999999995 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -31.71 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -108.27 97.06 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 110.866 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.33 -89.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 71.219999999999999 112.499 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.5 54.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.389 . . . . 72.340000000000003 110.915 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.514 HG23 HD23 ' A' ' 27' ' ' LEU . 5.3 t -52.83 -23.99 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 72.409999999999997 111.151 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 11' ' ' PHE . 2.7 mt -66.07 -24.54 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.882 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.0 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 64.040000000000006 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.73 ' O ' HD13 ' A' ' 7' ' ' ILE . 9.5 t80 -115.67 -24.51 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.010000000000005 110.935 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 6.0 mm-40 -42.54 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.9 tt -134.05 -31.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.135 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -42.36 -34.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 70.349999999999994 111.14 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.87 -23.04 6.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 72.209999999999994 111.132 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.794 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.78 -39.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 73.5 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.76 -25.2 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.859 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -83.15 -35.18 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 63.149999999999999 110.864 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.79 -24.08 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 63.109999999999999 110.909 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -43.47 121.8 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.892 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -48.92 -58.03 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.893 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' ' 18' ' ' LEU . 21.2 tptt -103.9 -88.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.925 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -122.13 -90.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.099999999999994 110.928 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.468 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.9 m -130.67 -59.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 62.119999999999997 111.114 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -127.3 10.67 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.857 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -43.95 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.3 pt? -125.48 50.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 63.350000000000001 110.928 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' GLY . 29.7 m-85 -96.85 16.82 18.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 62.229999999999997 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.69 0.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 110.864 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -57.58 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.873 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.82 -53.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.409999999999997 110.856 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 13.2 p90 -100.21 96.52 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 72.049999999999997 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -49.27 -91.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.430000000000007 112.519 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.13 98.6 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.422 . . . . 72.129999999999995 110.911 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 64.340000000000003 111.138 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.794 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -69.48 -27.98 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.299999999999997 110.937 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 73.319999999999993 110.845 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.75 0.309 . . . . 70.439999999999998 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.729 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.9 t80 -116.44 -24.49 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.894 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 33.5 mt-10 -42.46 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.875 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.572 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.95 -31.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 111.14 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -42.35 -34.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -120.89 -23.05 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.137 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.828 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.74 -39.58 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.43 -25.21 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.539999999999999 110.875 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.21 -35.13 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 64.549999999999997 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -85.74 -21.54 28.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.927 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -44.06 122.81 3.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.855 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.05 -65.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.439999999999998 110.86 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB2' HD21 ' A' ' 18' ' ' LEU . 12.5 tptp -103.61 -82.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.14 -90.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 65.049999999999997 110.949 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.458 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.6 m -131.01 -57.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.109999999999999 111.16 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.29 12.4 6.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.109999999999999 110.839 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.7 pt? -125.86 48.78 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' A' ' 24' ' ' GLY . 32.9 m-85 -95.26 16.47 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.904 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.56 0.41 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.019999999999996 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -71.62 -58.93 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.55 -51.74 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 110.865 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -96.92 95.93 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -47.9 -91.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 72.140000000000001 112.5 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.11 99.17 4.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.398 . . . . 65.540000000000006 110.938 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -12.74 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.158 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.828 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -65.3 -28.28 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.897 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.871 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 63.350000000000001 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.715 ' O ' HD13 ' A' ' 7' ' ' ILE . 12.7 t80 -120.12 -21.58 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -44.47 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 62.409999999999997 110.929 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.554 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.1 tt -134.82 -33.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 74.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -41.57 -34.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 70.150000000000006 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.05 -24.12 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 111.149 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.805 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.3 tp -52.43 -40.2 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 43.119999999999997 111.078 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -50.73 -25.4 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.844 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.68 -35.33 24.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 110.862 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -83.55 -23.64 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.889 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -43.63 121.96 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 62.409999999999997 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.68 ' NH1' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -48.84 -61.28 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.010000000000005 110.856 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.1 tptt -101.8 -87.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -121.56 -90.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 35.420000000000002 110.899 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.464 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 m -130.9 -58.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 63.240000000000002 111.177 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.58 10.99 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.842 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.230000000000004 110.886 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.68 HD11 ' NH1' ' A' ' 12' ' ' ARG . 1.5 pt? -125.95 49.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.936 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' O ' ' A' ' 24' ' ' GLY . 25.2 m-85 -96.05 17.21 15.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.55 0.45 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 54.420000000000002 110.843 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -57.66 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.872 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -121.92 -52.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -100.09 95.68 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -48.71 -91.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 62.140000000000001 112.485 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -133.08 98.28 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.530000000000001 110.921 -179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.56 -8.22 59.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 52.399999999999999 111.156 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.805 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -72.8 -22.98 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 71.329999999999998 110.898 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.865 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 75.510000000000005 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.683 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.7 t80 -117.5 -25.05 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 74.329999999999998 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mt-10 -42.13 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 70.219999999999999 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.57 -32.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 62.009999999999998 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -42.14 -34.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 60.420000000000002 111.102 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.7 -23.71 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 111.113 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.715 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.47 -40.17 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 60.039999999999999 111.114 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.2 -26.25 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 63.219999999999999 110.865 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -35.17 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -86.42 -20.44 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 62.149999999999999 110.921 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.67 123.18 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.917 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -67.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -79.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.409999999999997 110.914 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -112.51 -94.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 72.150000000000006 110.922 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.449 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.2 m -133.9 -51.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 111.134 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -124.26 5.06 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.419 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -45.87 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 61.329999999999998 110.864 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -125.41 57.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.907 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CE2' ' C ' ' A' ' 15' ' ' THR . 6.3 m-85 -117.1 23.0 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.895 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -37.11 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.5 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -46.76 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.865 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -126.73 35.4 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -114.3 103.83 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -71.64 77.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.109999999999999 112.464 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -11.9 83.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 72.200000000000003 110.909 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 7.3 t -74.96 -23.75 58.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 111.142 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -84.15 0.66 47.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.958 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.400000000000006 110.825 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.314 . . . . 61.200000000000003 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.724 ' OH ' HD13 ' A' ' 10' ' ' LEU . 63.6 t80 -76.23 68.32 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.894 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 76.5 mt-10 -115.18 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.329999999999998 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' ' C ' ' A' ' 5' ' ' THR . 1.4 tt -138.18 -37.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.8 t -29.7 -49.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 111.157 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 5' ' ' THR . 1.3 t -123.07 -12.46 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 111.145 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -54.36 -38.86 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.049999999999997 111.155 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.79 -27.07 49.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.510000000000005 110.869 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.46 -35.5 73.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.849 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -86.76 -23.59 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.420000000000002 110.93 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 27' ' ' LEU . 1.4 m-30 -44.33 123.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.510000000000005 110.863 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HG3' HD23 ' A' ' 18' ' ' LEU . 3.6 mmt180 -44.03 -72.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 65.319999999999993 110.847 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -107.09 -77.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 62.350000000000001 110.903 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -112.39 -99.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 55.210000000000001 110.923 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 16' ' ' HIS . 1.3 m -137.09 -40.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 15' ' ' THR . 49.7 m80 -129.52 23.99 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 87.1 mtt180 -80.15 -74.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.495 HD23 ' HG3' ' A' ' 12' ' ' ARG . 16.5 tp -93.82 12.36 26.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.924 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CD2' ' C ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -99.82 13.84 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.888 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -128.41 10.31 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 110.857 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -98.73 -60.39 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.826 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.95 -65.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 21.8 p90 -87.27 91.77 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.861 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.17 -88.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -132.75 95.53 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 74.430000000000007 110.877 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -76.55 -18.08 58.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 73.400000000000006 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -64.79 -46.25 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 72.010000000000005 110.913 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 110.9 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.9 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 61.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.733 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.4 t80 -116.15 -24.78 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.895 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 8.4 mm-40 -42.43 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.230000000000004 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.566 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.99 -31.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 111.148 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -42.19 -34.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -121.02 -23.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.156 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.782 ' CG1' HD22 ' A' ' 27' ' ' LEU . 1.4 tp -51.58 -40.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.549999999999997 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.75 -25.61 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.864 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -35.51 34.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 52.219999999999999 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.17 -25.05 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.9 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' A' ' 27' ' ' LEU . 1.1 m-30 -43.18 123.38 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.852 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -44.47 -63.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.209999999999994 110.892 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -112.29 -81.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 110.893 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.667 HD22 HH11 ' A' ' 17' ' ' ARG . 0.8 OUTLIER -110.63 -97.53 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 110.951 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.1 m -134.69 -48.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 111.104 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' A' ' 15' ' ' THR . 0.9 OUTLIER -128.19 18.27 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.904 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.667 HH11 HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.98 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.119999999999997 110.891 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -124.94 28.35 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 110.89 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.9 m-85 -83.98 9.61 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.894 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -124.83 7.05 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 110.904 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -83.8 -54.21 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.1 -60.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -89.69 95.9 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.834 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' PHE . . . -44.41 -90.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 44.539999999999999 112.473 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.606 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -135.89 97.31 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 63.210000000000001 110.946 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -81.6 -10.43 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 74.5 111.138 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD22 ' CG1' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -70.85 -18.05 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 53.229999999999997 110.926 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.874 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.699 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.8 t80 -117.13 -25.4 7.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 110.929 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 3.3 mm-40 -41.42 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.109999999999999 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.545 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.35 -33.18 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 52.25 111.154 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -40.67 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.150000000000006 111.129 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 -24.27 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 72.049999999999997 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.57 -39.54 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.17 -25.29 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 63.450000000000003 110.823 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.04 -33.77 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -87.69 -17.23 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 70.310000000000002 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.37 110.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.917 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -47.99 -61.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.851 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HB2' HD21 ' A' ' 18' ' ' LEU . 10.9 tptp -110.47 -81.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.897 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.96 -84.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 45.210000000000001 110.916 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 m -130.02 -64.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 111.133 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.21 8.31 6.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 53.420000000000002 110.864 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.48 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.883 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -126.7 55.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 63.450000000000003 110.95 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 27' ' ' LEU . 24.4 m-85 -101.12 22.14 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.911 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 1.58 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.877 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -70.71 -61.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.936 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -113.18 -38.15 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.6 96.41 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.540000000000006 110.917 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.09 -87.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.819 -0.705 . . . . 42.43 112.427 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 27' ' ' LEU . 1.6 t80 -138.83 55.73 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 74.25 110.981 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' HD11 ' A' ' 10' ' ' LEU . 6.9 t -47.99 -26.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 50.140000000000001 111.171 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' HE1' ' A' ' 11' ' ' PHE . 4.7 mt -50.6 -31.11 14.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 61.409999999999997 110.928 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.727 ' O ' HD13 ' A' ' 7' ' ' ILE . 5.7 t80 -119.48 -23.92 6.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 83.3 mt-10 -42.12 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 62.310000000000002 110.908 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.52 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.2 tt -133.55 -32.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -41.77 -34.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.17 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.71 -24.31 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 111.189 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -52.0 -38.92 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 64.099999999999994 111.094 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -55.41 -24.89 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.823 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -86.73 -33.63 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.040000000000006 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -89.52 -16.47 30.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 65.510000000000005 110.909 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -44.56 112.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.219999999999999 110.882 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -48.24 -64.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 64.030000000000001 110.897 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 18' ' ' LEU . 5.0 tptt -102.7 -87.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -119.61 -83.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.914 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.496 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.3 m -128.84 -64.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 42.219999999999999 111.15 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.2 9.73 6.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 63.329999999999998 110.886 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HG2' HD23 ' A' ' 18' ' ' LEU . 1.6 tpt180 -43.36 -79.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.119999999999997 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.562 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.15 56.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 110.908 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HD21 ' A' ' 27' ' ' LEU . 36.2 m-85 -100.14 25.06 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.918 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -130.97 -7.76 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 64.329999999999998 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -60.57 -64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.834 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.61 -47.11 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 63.149999999999999 110.855 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -87.37 94.51 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.17 -90.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 44.240000000000002 112.451 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.3 55.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 72.239999999999995 110.974 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -59.19 -14.43 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 62.130000000000003 111.112 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -72.87 -24.83 60.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.88 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.87 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.816 0.341 . . . . 72.430000000000007 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.747 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.5 t80 -116.93 -22.31 8.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.030000000000001 110.893 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 71.0 mt-10 -42.07 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.129999999999995 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.563 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.7 tt -133.9 -31.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 111.134 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 t -42.6 -33.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.510000000000005 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -122.08 -22.49 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 72.150000000000006 111.148 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.82 -40.12 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 111.1 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -53.84 -23.41 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.85 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.09 -32.12 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 74.439999999999998 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 tp -84.53 -25.59 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 65.519999999999996 110.955 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -39.02 110.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.919 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 4.0 mmt180 -52.1 -52.68 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 71.230000000000004 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.788 ' HE3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -110.38 -87.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.896 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -115.94 -86.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.87 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.495 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.7 m -130.12 -67.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 52.439999999999998 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.41 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.14 9.96 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.854 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.658 ' CG ' HD23 ' A' ' 18' ' ' LEU . 16.0 tpt85 -38.44 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.209999999999994 110.864 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -129.43 53.29 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 60.020000000000003 110.889 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.817 ' CD1' HD21 ' A' ' 27' ' ' LEU . 21.5 m-85 -89.63 21.8 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.867 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -3.44 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.439999999999998 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -68.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.874 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.65 -33.76 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -103.36 97.33 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.200000000000003 110.851 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.06 -89.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 75.109999999999999 112.525 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HE2' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -138.95 59.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 74.310000000000002 110.939 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.485 HG23 HD23 ' A' ' 27' ' ' LEU . 6.7 t -50.74 -26.14 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.019999999999996 111.174 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.817 HD21 ' CD1' ' A' ' 19' ' ' PHE . 5.0 mt -64.89 -32.67 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.230000000000004 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.89 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 72.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.776 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.6 t80 -119.38 -26.98 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 110.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.3 mm-40 -40.14 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 70.510000000000005 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.539 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.4 tt -133.22 -29.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.102 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -41.52 -35.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.134 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.8 t -121.93 -22.87 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 70.340000000000003 111.142 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.776 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.4 -39.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.239999999999995 111.137 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -54.31 -22.68 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 51.530000000000001 110.854 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.17 -30.94 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.26 -23.28 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.030000000000001 110.916 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -41.08 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 62.109999999999999 110.878 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -52.65 -40.73 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.109999999999999 110.888 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.35 -93.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.925 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -112.17 -87.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 110.951 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.498 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.4 m -129.06 -70.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.209999999999994 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -130.04 13.34 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 110.83 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -40.18 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.886 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.602 HD23 ' HB3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -131.16 51.61 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 63.240000000000002 110.908 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 27' ' ' LEU . 29.1 m-85 -86.8 25.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 63.100000000000001 110.821 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.25 -8.47 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -61.39 -68.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.899 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.25 -37.75 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -98.64 97.02 8.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.150000000000006 110.88 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -25.72 -90.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 73.049999999999997 112.492 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.13 54.96 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 72.239999999999995 110.944 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 HD23 ' A' ' 27' ' ' LEU . 7.1 t -49.71 -28.17 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 111.151 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 19' ' ' PHE . 6.2 mt -61.64 -34.91 76.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.946 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.914 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.4 pttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 74.329999999999998 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -120.71 -8.05 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 110.914 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 18.5 mm-40 -45.89 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.85 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.616 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 tt -128.16 -20.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 64.219999999999999 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 1' ' ' LYS . 34.8 p -27.33 -52.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.349999999999994 111.139 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -128.91 -5.03 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' ' HA ' ' A' ' 4' ' ' ILE . 1.8 tp -52.53 -39.36 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 71.200000000000003 111.07 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.9 -26.73 26.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.852 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -80.69 -30.09 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.209999999999994 110.835 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.79 -16.88 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 61.119999999999997 110.901 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -46.26 116.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -59.46 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.230000000000004 110.858 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -92.83 -91.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.897 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -120.23 -85.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.240000000000002 110.935 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.497 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 3.0 m -128.35 -64.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 52.329999999999998 111.164 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.7 9.76 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 72.510000000000005 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.69 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.409999999999997 110.861 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -127.8 57.54 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.929 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 45.0 m-85 -102.75 5.17 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 65.019999999999996 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 23.13 5.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 74.099999999999994 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -102.1 -45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.878 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -120.26 -25.84 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.030000000000001 110.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.654 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -108.96 123.29 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 110.863 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.39 85.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 72.109999999999999 112.507 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 24' ' ' GLY . 5.2 t80 -13.93 85.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 73.239999999999995 110.916 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 24' ' ' GLY . 8.0 t -66.85 -22.67 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.130000000000003 111.088 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 25' ' ' TYR . 4.9 mt -78.37 -8.99 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 71.209999999999994 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.842 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 64.450000000000003 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.695 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.8 t80 -116.99 -23.52 7.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 110.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -42.4 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.129999999999995 110.87 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -133.26 -33.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 53.350000000000001 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -40.56 -37.5 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.5 111.143 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.38 -24.66 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 70.109999999999999 111.147 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.33 -40.25 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 52.520000000000003 111.128 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -51.49 -25.79 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.844 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.04 -34.52 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.119999999999997 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -86.41 -18.6 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 110.886 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' HE1' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.65 115.21 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.85 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -65.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.864 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -82.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.891 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -114.23 -91.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.941 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.467 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 m -132.21 -56.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 54.210000000000001 111.193 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -126.22 3.42 7.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.843 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -44.07 -74.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 3.0 tp -126.38 63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.916 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 27' ' ' LEU . 15.4 m-85 -117.77 12.83 14.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 75.299999999999997 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.08 24.85 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 110.86 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' CD ' HD12 ' A' ' 18' ' ' LEU . 2.1 mpt_? -109.03 -61.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.928 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.4 -26.76 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.662 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.63 100.82 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.340000000000003 110.87 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.43 -90.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 73.340000000000003 112.516 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 27' ' ' LEU . 1.7 t80 -141.6 61.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 75.409999999999997 110.929 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -57.81 -18.34 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 63.539999999999999 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -63.66 -18.27 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 72.120000000000005 110.926 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.83 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.801 0.334 . . . . 55.229999999999997 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 7' ' ' ILE . 7.9 t80 -116.07 -24.21 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 70.319999999999993 110.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 59.2 mt-10 -42.35 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 71.25 110.91 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.3 tt -133.77 -31.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 t -42.3 -34.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.219999999999999 111.151 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.81 -23.5 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 111.188 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.4 tp -51.51 -40.55 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -51.91 -25.51 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.874 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -82.67 -33.58 27.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 64.209999999999994 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -20.85 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -44.98 107.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.882 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.89 -50.87 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 74.420000000000002 110.871 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HD3' HD23 ' A' ' 18' ' ' LEU . 2.7 tttp -93.28 -96.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -121.45 -86.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.905 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 m -127.07 -68.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.5 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.19 14.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 55.450000000000003 110.87 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 62.420000000000002 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -129.15 49.2 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.866 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CB ' HD11 ' A' ' 27' ' ' LEU . 66.9 m-85 -87.03 -4.71 59.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.35 20.74 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -96.83 -45.14 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 71.019999999999996 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.93 -22.82 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 110.839 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CD2' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -109.41 123.37 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.450000000000003 110.884 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.65 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -45.76 88.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 64.129999999999995 112.48 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.65 ' C ' ' O ' ' A' ' 24' ' ' GLY . 45.7 t80 -11.8 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 74.209999999999994 110.942 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' GLY . 6.7 t -85.74 -15.37 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 52.409999999999997 111.135 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' A' ' 19' ' ' PHE . 1.1 mt -56.35 -20.11 17.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.737 0.303 . . . . 71.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.412 ' HA ' HG22 ' A' ' 6' ' ' THR . 1.3 t80 -114.53 39.27 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.936 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 2.5 mt-10 -77.47 -81.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 72.430000000000007 110.885 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -137.59 -38.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.138 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 4' ' ' ILE . 5.8 t -46.03 -31.44 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 62.409999999999997 111.166 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.75 -21.86 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 111.166 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -50.96 -44.74 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.136 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.505 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -51.96 -27.95 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.858 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.83 -32.02 72.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 65.5 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.731 HD21 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -95.71 -22.67 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.914 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CE1' HD12 ' A' ' 7' ' ' ILE . 2.0 m-30 -38.56 118.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 65.010000000000005 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -64.03 -70.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 65.129999999999995 110.884 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.2 tptt -94.91 -97.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 63.229999999999997 110.879 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -107.67 -86.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.935 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.9 m -128.14 -59.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.119 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.69 7.79 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.530000000000001 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.536 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -42.13 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.864 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.35 56.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.916 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' C ' ' A' ' 15' ' ' THR . 31.6 m-85 -99.21 28.22 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -132.28 -15.31 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.219999999999999 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -54.36 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 110.82 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.79 -44.21 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -90.78 98.05 11.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 110.917 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -27.16 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 74.150000000000006 112.465 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 27' ' ' LEU . 1.3 t80 -136.78 55.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 62.329999999999998 110.909 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.731 ' CG2' HD21 ' A' ' 10' ' ' LEU . 5.2 t -50.72 -23.93 3.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.114 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.8 HD12 ' CE2' ' A' ' 25' ' ' TYR . 73.8 mt -49.98 -26.04 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 70.310000000000002 110.934 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.540000000000006 110.832 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 73.400000000000006 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 7' ' ' ILE . 8.1 t80 -117.67 -24.53 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.010000000000005 110.958 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -42.0 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 72.299999999999997 110.909 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.7 tt -133.33 -31.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 111.145 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -42.39 -34.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 71.140000000000001 111.141 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -24.03 6.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 74.120000000000005 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -51.04 -41.33 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 74.219999999999999 111.144 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.452 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -50.98 -26.67 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.884 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.4 -34.08 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.519999999999996 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -22.72 24.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 64.109999999999999 110.899 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.5 m-30 -43.38 120.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.510000000000005 110.891 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -56.42 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 62.049999999999997 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.87 -96.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 110.843 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -121.65 -85.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.959 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.521 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 3.3 m -127.25 -64.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.510000000000005 111.151 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.78 5.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 75.319999999999993 110.868 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.08 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.040000000000006 110.847 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 17' ' ' ARG . 1.4 pt? -126.09 52.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.891 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CG ' HD11 ' A' ' 27' ' ' LEU . 72.9 m-85 -91.23 -1.98 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.889 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 30.32 5.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -118.95 -39.09 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.879 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.89 -33.26 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.695 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.89 124.62 45.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.9 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.31 88.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 64.530000000000001 112.485 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' C ' ' O ' ' A' ' 24' ' ' GLY . 21.8 t80 -16.38 88.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 73.010000000000005 110.882 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -95.21 -8.22 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.299999999999997 111.149 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.98 -26.83 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 110.926 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.881 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 73.239999999999995 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.74 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.6 t80 -116.32 -27.38 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 70.310000000000002 110.925 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 41.9 mt-10 -42.12 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.0 tt -133.48 -31.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.450000000000003 111.169 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -39.24 -37.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.420000000000002 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 2' ' ' TYR . 1.3 t -120.07 -23.97 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.139 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.2 tp -51.42 -39.54 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 111.118 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -24.65 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 72.200000000000003 110.865 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.36 -36.52 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.43 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.33 -18.54 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.903 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD13 ' A' ' 27' ' ' LEU . 1.2 m-30 -31.3 108.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.9 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 10.3 tpt180 -61.4 -71.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HG2' HD23 ' A' ' 18' ' ' LEU . 14.3 tptm -78.35 -123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 53.030000000000001 110.933 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -96.56 -82.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.894 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.527 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 m -125.7 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.143 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 16.64 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 11.4 mtt180 -49.44 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.842 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.24 48.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 110.893 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.726 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 85.4 m-85 -88.85 -3.53 58.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 110.89 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 2.1 ppt_? -128.93 29.75 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 110.855 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -116.83 -40.78 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.876 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.48 -31.69 6.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 51.530000000000001 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.84 124.88 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.873 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -47.28 87.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 41.109999999999999 112.458 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' C ' ' O ' ' A' ' 24' ' ' GLY . 15.0 t80 -16.12 88.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 72.349999999999994 110.974 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -92.17 -8.69 44.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 75.439999999999998 111.108 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 19' ' ' PHE . 2.2 mt -52.71 -23.05 5.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 71.409999999999997 110.911 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.853 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 71.329999999999998 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.664 ' OH ' HD13 ' A' ' 10' ' ' LEU . 1.9 t80 -62.68 -16.96 59.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 5' ' ' THR . 13.1 pt-20 -30.28 137.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 74.010000000000005 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 1.6 tt -24.41 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 64.049999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -37.61 -37.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 74.010000000000005 111.126 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.04 -16.61 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 111.157 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.84 -32.65 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.138 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.16 62.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.854 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -62.6 -22.48 66.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.664 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -101.36 -19.92 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.030000000000001 110.913 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.849 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.1 m-30 -40.35 115.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.32 -74.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.905 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 10.2 tptt -81.78 -106.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 62.140000000000001 110.857 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -103.53 -89.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.923 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.518 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 1.5 m -127.65 -56.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 111.124 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.49 10.55 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -44.8 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.030000000000001 110.886 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -127.85 52.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 62.340000000000003 110.908 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.726 ' CD2' HD21 ' A' ' 27' ' ' LEU . 56.7 m-85 -95.51 21.44 8.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.539999999999999 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -0.55 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.420000000000002 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -33.39 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -107.32 97.41 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.882 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.53 -88.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 74.430000000000007 112.457 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.0 56.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 74.430000000000007 110.931 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.543 HG21 HD21 ' A' ' 10' ' ' LEU . 4.4 t -53.86 -23.07 11.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 75.430000000000007 111.144 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.849 HD22 ' CE1' ' A' ' 11' ' ' PHE . 1.5 mt -67.03 -21.7 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.899 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 pttt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.776 0.322 . . . . 74.420000000000002 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.718 ' O ' HD13 ' A' ' 7' ' ' ILE . 10.9 t80 -119.13 -24.65 6.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 73.430000000000007 110.942 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 30.2 mt-10 -42.59 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 2.9 tt -133.24 -32.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 111.178 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -41.65 -34.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 41.200000000000003 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -120.33 -23.32 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 111.156 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 2' ' ' TYR . 1.3 tp -54.76 -38.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.150000000000006 111.101 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -24.72 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.913 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -73.69 -35.53 65.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -84.46 -20.58 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.913 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.741 ' CE1' HD13 ' A' ' 27' ' ' LEU . 1.8 m-30 -33.3 111.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -50.45 12.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HG2' HD23 ' A' ' 18' ' ' LEU . 8.1 tptt -88.58 -124.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 62.350000000000001 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -101.58 -84.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.901 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' CE1' ' A' ' 19' ' ' PHE . 2.6 m -125.94 -63.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 64.140000000000001 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -132.83 16.16 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.329999999999998 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.200000000000003 110.84 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -125.54 46.29 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.934 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.718 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 87.5 m-85 -82.16 -0.8 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.875 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.19 23.85 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -110.86 -49.52 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -102.4 -31.0 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 51.109999999999999 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -120.54 123.26 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 73.450000000000003 110.874 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -48.2 88.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 74.140000000000001 112.498 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.63 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 t80 -15.77 86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 74.349999999999994 110.94 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' GLY . 3.7 t -87.37 -11.54 48.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.230000000000004 111.141 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -57.5 -19.53 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.925 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.871 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 75.319999999999993 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -122.28 -8.37 8.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.0 mm-40 -46.04 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.506 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 1.3 tt -137.14 -37.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.420000000000002 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -44.75 -30.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 51.409999999999997 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.29 -24.32 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 111.146 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -50.69 -44.54 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.210000000000001 111.093 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.514 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -51.17 -27.85 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.868 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -32.75 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.858 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -22.73 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.723 ' CD1' HD12 ' A' ' 7' ' ' ILE . 1.3 m-30 -41.37 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.89 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -62.48 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 62.43 110.893 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 tptt -87.17 -98.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 70.099999999999994 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -114.14 -85.4 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.908 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.531 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 m -127.47 -63.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 111.164 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.0 11.88 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.866 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -45.77 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 63.340000000000003 110.89 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -126.6 54.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 56.4 m-85 -95.93 -2.49 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.85 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 26.82 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -107.24 -43.05 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -120.13 -25.0 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.848 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -113.1 122.81 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.888 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . -46.12 86.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 74.209999999999994 112.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.635 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t80 -14.55 84.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 73.310000000000002 110.929 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.668 HG23 HD23 ' A' ' 27' ' ' LEU . 10.1 t -67.34 -20.72 65.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 111.111 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 26' ' ' THR . 3.0 mt -79.94 -5.58 55.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.89 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.865 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.341 . . . . 63.549999999999997 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 10' ' ' LEU . 2.6 t80 -108.06 -16.72 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.931 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.752 ' HG2' HG23 ' A' ' 5' ' ' THR . 13.8 tt0 -31.94 139.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.329999999999998 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.56 ' C ' ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -22.98 -45.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 111.158 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.752 HG23 ' HG2' ' A' ' 3' ' ' GLU . 70.9 p -34.23 -42.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.09 -19.53 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 111.115 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -56.67 -34.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.144 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.35 -24.54 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.049999999999997 110.828 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.4 -26.81 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 72.409999999999997 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD13 ' OH ' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -95.46 -20.37 19.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.219999999999999 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 27' ' ' LEU . 3.0 m-30 -41.47 116.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.866 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -60.1 -76.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 64.239999999999995 110.843 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 tptt -83.82 -102.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.905 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -104.43 -92.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 50.409999999999997 110.927 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.522 ' C ' ' CE2' ' A' ' 19' ' ' PHE . 1.4 m -127.78 -53.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.510000000000005 111.182 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.42 9.13 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.857 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HG2' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -43.8 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 73.040000000000006 110.859 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -128.18 53.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.945 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CD1' HD21 ' A' ' 27' ' ' LEU . 52.7 m-85 -96.09 21.36 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.889 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.35 0.88 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.83 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.129999999999995 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.95 -31.71 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -108.27 97.06 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 110.866 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' PHE . . . -26.33 -89.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 71.219999999999999 112.499 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.5 54.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.389 . . . . 72.340000000000003 110.915 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.514 HG23 HD23 ' A' ' 27' ' ' LEU . 5.3 t -52.83 -23.99 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 72.409999999999997 111.151 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 11' ' ' PHE . 2.7 mt -66.07 -24.54 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.882 179.937 . . . . . . . . 0 0 . 1 stop_ save_