data_2o0s_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 2o0s _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' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 63.539999999999999 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.648 HG12 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 74.439999999999998 111.167 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.689 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.59 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.901 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.689 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.31 34.37 5.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.911 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -77.42 -18.31 57.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.896 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -45.03 -72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -151.64 -30.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.109999999999999 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -30.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 72.120000000000005 110.829 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.54 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.6 mtp -133.17 35.73 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.888 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 9' ' ' MET . 21.0 mt -23.85 -63.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 111.127 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.501 ' C ' HD11 ' A' ' 12' ' ' ILE . 10.9 p90 -42.61 -53.12 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.888 0.375 . . . . 71.450000000000003 110.934 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.648 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.75 -148.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 74.140000000000001 111.204 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.83 -25.68 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.685 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.43 34.2 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.844 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -76.55 -18.24 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.852 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -45.41 -73.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 74.450000000000003 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -151.99 -30.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 110.875 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.68 -31.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.529 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.5 mtp -131.13 35.96 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 71.340000000000003 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 9' ' ' MET . 6.0 mm -25.33 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.498 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.6 p90 -43.68 -53.01 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.924 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.087 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.928 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.649 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 111.099 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.691 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.86 -25.72 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 110.878 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.691 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.22 34.45 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.549999999999997 110.939 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.63 -18.34 56.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.881 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -45.24 -72.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -151.03 -31.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -30.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.895 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.7 mtp -133.07 35.7 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 19.4 mt -24.48 -62.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 111.163 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.1 p90 -43.04 -53.22 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.918 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 73.120000000000005 111.12 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 73.230000000000004 110.884 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.659 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.6 p -60.91 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 72.140000000000001 111.115 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.683 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.93 -25.59 3.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.922 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.683 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.37 34.93 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 72.510000000000005 110.876 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -79.15 -19.97 49.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.938 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -51.55 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.813 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.11 -29.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -43.36 -32.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.863 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.536 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -131.1 35.97 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' C ' ' O ' ' A' ' 9' ' ' MET . 17.1 mt -24.94 -61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.196 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.3 p90 -43.81 -53.08 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.88 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 75.200000000000003 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.66 HG11 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.86 -147.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 71.219999999999999 111.112 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.89 -25.57 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.530000000000001 110.941 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.682 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.37 35.0 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.340000000000003 110.868 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 1.2 tmtm? -79.35 -20.14 48.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 75.510000000000005 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -70.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.0 -28.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 72.519999999999996 110.889 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -43.41 -32.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.531 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -129.91 36.07 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 71.409999999999997 110.887 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.29 -61.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 61.5 111.158 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.5 p90 -43.88 -53.14 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 73.329999999999998 111.147 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 74.019999999999996 110.964 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.66 HG11 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.92 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.074 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.94 -25.57 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.912 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.683 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.35 35.01 4.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.91 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 4.6 tttp -79.33 -20.16 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.942 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.72 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.824 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -148.95 -28.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -43.46 -32.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 71.310000000000002 110.832 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -129.82 36.01 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.891 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.2 -61.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.150000000000006 111.147 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.4 p90 -43.79 -53.13 6.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.340000000000003 110.923 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 111.126 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 75.340000000000003 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.654 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.79 -148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 72.209999999999994 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.683 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.97 -25.56 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 72.439999999999998 110.858 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.683 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.53 33.93 5.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 74.299999999999997 110.922 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -76.06 -20.73 57.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 74.219999999999999 110.964 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -80.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.400000000000006 110.9 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -139.77 -28.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -31.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.545 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -131.73 35.54 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 9' ' ' MET . 7.3 mm -24.63 -62.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 72.040000000000006 111.123 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.4 p90 -43.18 -53.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 110.92 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.118 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.898 0.38 . . . . 74.430000000000007 110.958 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.644 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.8 p -61.13 -148.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 70.109999999999999 111.115 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.688 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -125.67 -26.17 3.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 73.140000000000001 110.91 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.688 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.19 32.84 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 110.944 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HB2' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -69.8 -19.48 63.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.86 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.07 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.909 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -139.63 -28.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.897 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -30.26 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.502 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -124.44 34.58 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 110.908 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 9' ' ' MET . 2.8 mm -27.68 -57.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.503 ' C ' HD11 ' A' ' 12' ' ' ILE . 16.4 p90 -47.76 -54.25 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 75.209999999999994 110.907 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 HD11 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 70.310000000000002 110.962 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.657 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.62 -148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 74.200000000000003 111.213 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.685 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.58 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.953 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.685 ' N ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.64 33.92 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.944 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 2.0 tttt -76.0 -20.8 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.140000000000001 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -48.36 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 72.239999999999995 110.766 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -139.53 -29.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.861 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -44.7 -30.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.340000000000003 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.4 mtp -134.31 35.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 65.329999999999998 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 9' ' ' MET . 20.7 mt -24.42 -62.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 111.111 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.3 p90 -43.25 -53.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.230000000000004 110.871 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.319999999999993 111.153 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 63.539999999999999 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.648 HG12 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 74.439999999999998 111.167 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.689 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.59 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.901 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.689 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.31 34.37 5.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.911 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -77.42 -18.31 57.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.896 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -45.03 -72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -151.64 -30.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.109999999999999 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -30.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 72.120000000000005 110.829 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.54 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.6 mtp -133.17 35.73 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.888 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 9' ' ' MET . 21.0 mt -23.85 -63.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 111.127 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' C ' HD11 ' A' ' 12' ' ' ILE . 10.9 p90 -42.61 -53.12 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.888 0.375 . . . . 71.450000000000003 110.934 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.648 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.75 -148.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 74.140000000000001 111.204 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.83 -25.68 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.685 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.43 34.2 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.844 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -76.55 -18.24 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.852 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -45.41 -73.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 74.450000000000003 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -151.99 -30.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 110.875 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.68 -31.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.529 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.5 mtp -131.13 35.96 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 71.340000000000003 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 9' ' ' MET . 6.0 mm -25.33 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.498 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.6 p90 -43.68 -53.01 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.924 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.087 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.928 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.649 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 111.099 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.691 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.86 -25.72 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 110.878 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.691 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.22 34.45 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.549999999999997 110.939 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.63 -18.34 56.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.881 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -45.24 -72.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -151.03 -31.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -30.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.895 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.7 mtp -133.07 35.7 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 19.4 mt -24.48 -62.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 111.163 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.1 p90 -43.04 -53.22 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.918 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 73.120000000000005 111.12 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 73.230000000000004 110.884 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.659 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.6 p -60.91 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 72.140000000000001 111.115 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.683 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.93 -25.59 3.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.922 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.683 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.37 34.93 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 72.510000000000005 110.876 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -79.15 -19.97 49.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.938 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -51.55 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.813 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.11 -29.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -43.36 -32.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.863 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.536 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -131.1 35.97 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' C ' ' O ' ' A' ' 9' ' ' MET . 17.1 mt -24.94 -61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.196 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.3 p90 -43.81 -53.08 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.88 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 75.200000000000003 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.66 HG11 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.86 -147.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 71.219999999999999 111.112 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.89 -25.57 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.530000000000001 110.941 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.682 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.37 35.0 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.340000000000003 110.868 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 1.2 tmtm? -79.35 -20.14 48.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 75.510000000000005 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -70.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.0 -28.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 72.519999999999996 110.889 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -43.41 -32.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.531 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -129.91 36.07 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 71.409999999999997 110.887 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.29 -61.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 61.5 111.158 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.5 p90 -43.88 -53.14 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 73.329999999999998 111.147 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 74.019999999999996 110.964 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.66 HG11 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.92 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.074 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.94 -25.57 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.912 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.683 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.35 35.01 4.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.91 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 4.6 tttp -79.33 -20.16 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.942 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.72 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.824 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -148.95 -28.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -43.46 -32.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 71.310000000000002 110.832 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -129.82 36.01 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.891 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.2 -61.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.150000000000006 111.147 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.4 p90 -43.79 -53.13 6.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.340000000000003 110.923 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 111.126 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 75.340000000000003 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.654 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.79 -148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 72.209999999999994 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.683 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.97 -25.56 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 72.439999999999998 110.858 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.683 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.53 33.93 5.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 74.299999999999997 110.922 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -76.06 -20.73 57.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 74.219999999999999 110.964 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -80.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.400000000000006 110.9 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -139.77 -28.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -31.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.545 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -131.73 35.54 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 9' ' ' MET . 7.3 mm -24.63 -62.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 72.040000000000006 111.123 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.4 p90 -43.18 -53.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 110.92 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.118 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.898 0.38 . . . . 74.430000000000007 110.958 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.8 p -61.13 -148.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 70.109999999999999 111.115 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.688 HD21 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -125.67 -26.17 3.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 73.140000000000001 110.91 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.688 ' N ' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.19 32.84 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 110.944 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HB2' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -69.8 -19.48 63.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.86 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.07 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.909 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -139.63 -28.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.897 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -30.26 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.502 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -124.44 34.58 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 110.908 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 9' ' ' MET . 2.8 mm -27.68 -57.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.503 ' C ' HD11 ' A' ' 12' ' ' ILE . 16.4 p90 -47.76 -54.25 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 75.209999999999994 110.907 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 HD11 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 70.310000000000002 110.962 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.657 HG13 ' CE3' ' A' ' 4' ' ' TRP . 3.5 p -60.62 -148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 74.200000000000003 111.213 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.685 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.58 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.953 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.685 ' N ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -118.64 33.92 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.944 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 2.0 tttt -76.0 -20.8 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.140000000000001 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -48.36 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 72.239999999999995 110.766 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -139.53 -29.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.861 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -44.7 -30.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.340000000000003 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.4 mtp -134.31 35.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 65.329999999999998 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 9' ' ' MET . 20.7 mt -24.42 -62.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 111.111 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 12' ' ' ILE . 11.3 p90 -43.25 -53.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.230000000000004 110.871 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' MET . 2.9 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.319999999999993 111.153 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 55.039999999999999 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.943 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 64.430000000000007 111.167 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.59 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.099999999999994 110.901 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.943 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.31 34.37 5.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.911 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.749 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -77.42 -18.31 57.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.896 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -45.03 -72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HG3' HD11 ' A' ' 10' ' ' ILE . 23.4 ttpt -151.64 -30.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 63.119999999999997 110.88 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -30.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.829 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.54 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.6 mtp -133.17 35.73 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.888 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 9' ' ' MET . 21.0 mt -23.85 -63.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 111.127 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 10.9 p90 -42.61 -53.12 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.219999999999999 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.888 0.375 . . . . 71.450000000000003 110.934 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.75 -148.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 73.549999999999997 111.204 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.83 -25.68 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.43 34.2 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.844 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.75 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.55 -18.24 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.852 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -45.41 -73.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 10' ' ' ILE . 27.0 ttpt -151.99 -30.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.219999999999999 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.68 -31.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.529 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.5 mtp -131.13 35.96 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.030000000000001 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 9' ' ' MET . 6.0 mm -25.33 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.150000000000006 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.6 p90 -43.68 -53.01 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.924 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.087 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.928 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 111.099 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.86 -25.72 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 64.030000000000001 110.878 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.22 34.45 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.140000000000001 110.939 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.748 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.63 -18.34 56.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.881 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -45.24 -72.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 70.540000000000006 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HA ' HG13 ' A' ' 10' ' ' ILE . 37.7 mtmm -151.03 -31.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -30.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.895 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.7 mtp -133.07 35.7 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 19.4 mt -24.48 -62.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 111.163 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.1 p90 -43.04 -53.22 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.918 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 73.120000000000005 111.12 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 73.230000000000004 110.884 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.6 p -60.91 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 61.149999999999999 111.115 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.93 -25.59 3.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.922 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 34.93 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 110.876 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -79.15 -19.97 49.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.938 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -51.55 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.813 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.6 mppt? -149.11 -29.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.949 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -43.36 -32.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.863 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.536 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -131.1 35.97 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' C ' ' O ' ' A' ' 9' ' ' MET . 17.1 mt -24.94 -61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.196 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.614 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.81 -53.08 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.88 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 34.539999999999999 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 64.140000000000001 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.936 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.86 -147.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 61.310000000000002 111.112 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.89 -25.57 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.030000000000001 110.941 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.936 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 35.0 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.020000000000003 110.868 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 1.2 tmtm? -79.35 -20.14 48.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 55.020000000000003 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -70.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.0 -28.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.889 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -43.41 -32.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.531 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -129.91 36.07 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 65.439999999999998 110.887 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.29 -61.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 44.340000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.613 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.5 p90 -43.88 -53.14 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 71.340000000000003 111.147 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 74.019999999999996 110.964 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.92 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.074 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.94 -25.57 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.912 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.35 35.01 4.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.91 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.742 ' HB2' HG12 ' A' ' 2' ' ' VAL . 4.6 tttp -79.33 -20.16 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.942 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.72 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 110.824 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -148.95 -28.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -43.46 -32.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 70.040000000000006 110.832 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -129.82 36.01 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.891 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.2 -61.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 62.200000000000003 111.147 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.616 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.79 -53.13 6.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 110.923 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.549999999999997 111.126 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 75.340000000000003 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.79 -148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 71.450000000000003 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.875 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.97 -25.56 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 51.25 110.858 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.53 33.93 5.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 74.209999999999994 110.922 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.732 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -76.06 -20.73 57.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 73.209999999999994 110.964 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -80.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 65.230000000000004 110.9 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -139.77 -28.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 72.219999999999999 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -31.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.545 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -131.73 35.54 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 9' ' ' MET . 7.3 mm -24.63 -62.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 111.123 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.18 -53.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 70.209999999999994 110.92 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.118 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.898 0.38 . . . . 74.25 110.958 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.934 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.8 p -61.13 -148.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 65.049999999999997 111.115 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -125.67 -26.17 3.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 70.420000000000002 110.91 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.934 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.19 32.84 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 110.944 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.746 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -69.8 -19.48 63.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.86 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.07 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.909 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -139.63 -28.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.897 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -30.26 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.502 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -124.44 34.58 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 110.908 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 9' ' ' MET . 2.8 mm -27.68 -57.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 16.4 p90 -47.76 -54.25 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.907 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 70.310000000000002 110.962 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.946 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.62 -148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 74.200000000000003 111.213 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.58 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.953 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.946 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.64 33.92 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.944 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HB2' HG12 ' A' ' 2' ' ' VAL . 2.0 tttt -76.0 -20.8 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -48.36 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 72.239999999999995 110.766 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HA ' HG13 ' A' ' 10' ' ' ILE . 2.0 mppt? -139.53 -29.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 60.310000000000002 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -44.7 -30.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 72.129999999999995 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.4 mtp -134.31 35.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 64.510000000000005 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 9' ' ' MET . 20.7 mt -24.42 -62.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 71.209999999999994 111.111 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.612 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.25 -53.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 110.871 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.219999999999999 111.153 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 55.039999999999999 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.943 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 64.430000000000007 111.167 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.59 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.099999999999994 110.901 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.943 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.31 34.37 5.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.911 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.749 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -77.42 -18.31 57.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.896 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -45.03 -72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HG3' HD11 ' A' ' 10' ' ' ILE . 23.4 ttpt -151.64 -30.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 63.119999999999997 110.88 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -30.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.829 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.54 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.6 mtp -133.17 35.73 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.888 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 9' ' ' MET . 21.0 mt -23.85 -63.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 111.127 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 10.9 p90 -42.61 -53.12 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.219999999999999 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.888 0.375 . . . . 71.450000000000003 110.934 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.75 -148.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 73.549999999999997 111.204 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.83 -25.68 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.43 34.2 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.844 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.75 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.55 -18.24 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.852 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -45.41 -73.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 10' ' ' ILE . 27.0 ttpt -151.99 -30.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.219999999999999 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.68 -31.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.529 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.5 mtp -131.13 35.96 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.030000000000001 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 9' ' ' MET . 6.0 mm -25.33 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.150000000000006 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.6 p90 -43.68 -53.01 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.924 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.087 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.928 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 111.099 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.86 -25.72 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 64.030000000000001 110.878 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.22 34.45 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.140000000000001 110.939 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.748 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.63 -18.34 56.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.881 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -45.24 -72.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 70.540000000000006 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HA ' HG13 ' A' ' 10' ' ' ILE . 37.7 mtmm -151.03 -31.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -30.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.895 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.7 mtp -133.07 35.7 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 19.4 mt -24.48 -62.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 111.163 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.1 p90 -43.04 -53.22 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.918 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 73.120000000000005 111.12 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 73.230000000000004 110.884 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.6 p -60.91 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 61.149999999999999 111.115 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.93 -25.59 3.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.922 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 34.93 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 110.876 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -79.15 -19.97 49.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.938 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -51.55 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.813 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.6 mppt? -149.11 -29.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.949 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -43.36 -32.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.863 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.536 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -131.1 35.97 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' C ' ' O ' ' A' ' 9' ' ' MET . 17.1 mt -24.94 -61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.196 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.614 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.81 -53.08 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.88 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 34.539999999999999 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 64.140000000000001 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.936 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.86 -147.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 61.310000000000002 111.112 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.89 -25.57 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.030000000000001 110.941 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.936 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 35.0 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.020000000000003 110.868 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 1.2 tmtm? -79.35 -20.14 48.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 55.020000000000003 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -70.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.0 -28.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.889 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -43.41 -32.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.531 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -129.91 36.07 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 65.439999999999998 110.887 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.29 -61.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 44.340000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.613 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.5 p90 -43.88 -53.14 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 71.340000000000003 111.147 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 74.019999999999996 110.964 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.92 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.074 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.94 -25.57 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.912 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.35 35.01 4.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.91 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.742 ' HB2' HG12 ' A' ' 2' ' ' VAL . 4.6 tttp -79.33 -20.16 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.942 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.72 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 110.824 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -148.95 -28.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -43.46 -32.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 70.040000000000006 110.832 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -129.82 36.01 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.891 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.2 -61.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 62.200000000000003 111.147 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.616 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.79 -53.13 6.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 110.923 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.549999999999997 111.126 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 75.340000000000003 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.79 -148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 71.450000000000003 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.875 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.97 -25.56 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 51.25 110.858 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.53 33.93 5.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 74.209999999999994 110.922 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.732 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -76.06 -20.73 57.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 73.209999999999994 110.964 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -80.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 65.230000000000004 110.9 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -139.77 -28.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 72.219999999999999 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -31.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.545 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -131.73 35.54 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 9' ' ' MET . 7.3 mm -24.63 -62.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 111.123 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.18 -53.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 70.209999999999994 110.92 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.118 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.898 0.38 . . . . 74.25 110.958 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.934 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.8 p -61.13 -148.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 65.049999999999997 111.115 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -125.67 -26.17 3.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 70.420000000000002 110.91 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.934 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.19 32.84 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 110.944 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.746 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -69.8 -19.48 63.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.86 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.07 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.909 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -139.63 -28.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.897 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -30.26 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.502 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -124.44 34.58 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 110.908 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 9' ' ' MET . 2.8 mm -27.68 -57.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 16.4 p90 -47.76 -54.25 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.907 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 70.310000000000002 110.962 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.946 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.62 -148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 74.200000000000003 111.213 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.58 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.953 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.946 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.64 33.92 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.944 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HB2' HG12 ' A' ' 2' ' ' VAL . 2.0 tttt -76.0 -20.8 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -48.36 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 72.239999999999995 110.766 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HA ' HG13 ' A' ' 10' ' ' ILE . 2.0 mppt? -139.53 -29.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 60.310000000000002 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -44.7 -30.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 72.129999999999995 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.4 mtp -134.31 35.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 64.510000000000005 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 9' ' ' MET . 20.7 mt -24.42 -62.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 71.209999999999994 111.111 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.612 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.25 -53.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 110.871 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.219999999999999 111.153 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 55.039999999999999 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.943 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 64.430000000000007 111.167 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.59 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.099999999999994 110.901 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.943 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.31 34.37 5.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.911 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.749 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -77.42 -18.31 57.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.896 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -45.03 -72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HG3' HD11 ' A' ' 10' ' ' ILE . 23.4 ttpt -151.64 -30.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 63.119999999999997 110.88 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -30.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.829 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.54 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.6 mtp -133.17 35.73 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.888 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 9' ' ' MET . 21.0 mt -23.85 -63.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 111.127 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 10.9 p90 -42.61 -53.12 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.219999999999999 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.888 0.375 . . . . 71.450000000000003 110.934 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.75 -148.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 73.549999999999997 111.204 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.83 -25.68 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.43 34.2 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.844 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.75 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.55 -18.24 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.852 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -45.41 -73.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 10' ' ' ILE . 27.0 ttpt -151.99 -30.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.219999999999999 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.68 -31.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.529 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.5 mtp -131.13 35.96 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.030000000000001 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 9' ' ' MET . 6.0 mm -25.33 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.150000000000006 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.6 p90 -43.68 -53.01 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.924 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.087 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.928 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 111.099 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.86 -25.72 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 64.030000000000001 110.878 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.22 34.45 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.140000000000001 110.939 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.748 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.63 -18.34 56.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.881 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -45.24 -72.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 70.540000000000006 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HA ' HG13 ' A' ' 10' ' ' ILE . 37.7 mtmm -151.03 -31.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -30.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.895 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.7 mtp -133.07 35.7 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 19.4 mt -24.48 -62.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 111.163 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.1 p90 -43.04 -53.22 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.918 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 73.120000000000005 111.12 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 73.230000000000004 110.884 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.6 p -60.91 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 61.149999999999999 111.115 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.93 -25.59 3.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.922 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 34.93 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 110.876 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -79.15 -19.97 49.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.938 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -51.55 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.813 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.6 mppt? -149.11 -29.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.949 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -43.36 -32.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.863 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.536 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -131.1 35.97 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' C ' ' O ' ' A' ' 9' ' ' MET . 17.1 mt -24.94 -61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.196 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.614 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.81 -53.08 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.88 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 34.539999999999999 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 64.140000000000001 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.936 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.86 -147.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 61.310000000000002 111.112 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.89 -25.57 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.030000000000001 110.941 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.936 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 35.0 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.020000000000003 110.868 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 1.2 tmtm? -79.35 -20.14 48.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 55.020000000000003 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -70.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.0 -28.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.889 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -43.41 -32.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.531 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -129.91 36.07 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 65.439999999999998 110.887 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.29 -61.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 44.340000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.613 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.5 p90 -43.88 -53.14 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 71.340000000000003 111.147 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 74.019999999999996 110.964 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.92 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.074 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.94 -25.57 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.912 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.35 35.01 4.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.91 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.742 ' HB2' HG12 ' A' ' 2' ' ' VAL . 4.6 tttp -79.33 -20.16 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.942 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.72 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 110.824 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -148.95 -28.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -43.46 -32.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 70.040000000000006 110.832 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -129.82 36.01 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.891 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.2 -61.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 62.200000000000003 111.147 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.616 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.79 -53.13 6.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 110.923 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.549999999999997 111.126 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 75.340000000000003 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.79 -148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 71.450000000000003 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.875 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.97 -25.56 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 51.25 110.858 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.53 33.93 5.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 74.209999999999994 110.922 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.732 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -76.06 -20.73 57.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 73.209999999999994 110.964 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -80.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 65.230000000000004 110.9 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -139.77 -28.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 72.219999999999999 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -31.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.545 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -131.73 35.54 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 9' ' ' MET . 7.3 mm -24.63 -62.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 111.123 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.18 -53.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 70.209999999999994 110.92 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.118 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.898 0.38 . . . . 74.25 110.958 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.934 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.8 p -61.13 -148.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 65.049999999999997 111.115 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -125.67 -26.17 3.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 70.420000000000002 110.91 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.934 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.19 32.84 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 110.944 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.746 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -69.8 -19.48 63.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.86 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.07 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.909 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -139.63 -28.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.897 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -30.26 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.502 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -124.44 34.58 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 110.908 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 9' ' ' MET . 2.8 mm -27.68 -57.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 16.4 p90 -47.76 -54.25 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.907 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 70.310000000000002 110.962 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.946 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.62 -148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 74.200000000000003 111.213 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.58 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.953 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.946 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.64 33.92 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.944 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HB2' HG12 ' A' ' 2' ' ' VAL . 2.0 tttt -76.0 -20.8 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -48.36 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 72.239999999999995 110.766 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HA ' HG13 ' A' ' 10' ' ' ILE . 2.0 mppt? -139.53 -29.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 60.310000000000002 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -44.7 -30.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 72.129999999999995 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.4 mtp -134.31 35.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 64.510000000000005 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 9' ' ' MET . 20.7 mt -24.42 -62.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 71.209999999999994 111.111 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.612 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.25 -53.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 110.871 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.219999999999999 111.153 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 55.039999999999999 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.943 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 64.430000000000007 111.167 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.59 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.099999999999994 110.901 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.943 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.31 34.37 5.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.911 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.749 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -77.42 -18.31 57.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.896 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -45.03 -72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HG3' HD11 ' A' ' 10' ' ' ILE . 23.4 ttpt -151.64 -30.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 63.119999999999997 110.88 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -30.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.829 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.54 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.6 mtp -133.17 35.73 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.888 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 9' ' ' MET . 21.0 mt -23.85 -63.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 111.127 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 10.9 p90 -42.61 -53.12 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.219999999999999 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.888 0.375 . . . . 71.450000000000003 110.934 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.75 -148.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 73.549999999999997 111.204 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.83 -25.68 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.43 34.2 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.844 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.75 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.55 -18.24 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.852 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -45.41 -73.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 10' ' ' ILE . 27.0 ttpt -151.99 -30.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.219999999999999 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.68 -31.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.529 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.5 mtp -131.13 35.96 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.030000000000001 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 9' ' ' MET . 6.0 mm -25.33 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.150000000000006 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.6 p90 -43.68 -53.01 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.924 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.087 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.928 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.82 -148.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 111.099 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.86 -25.72 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 64.030000000000001 110.878 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.22 34.45 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.140000000000001 110.939 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.748 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.63 -18.34 56.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.881 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -45.24 -72.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 70.540000000000006 110.869 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HA ' HG13 ' A' ' 10' ' ' ILE . 37.7 mtmm -151.03 -31.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -30.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.895 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 14.7 mtp -133.07 35.7 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 19.4 mt -24.48 -62.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 111.163 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.608 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.1 p90 -43.04 -53.22 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.918 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 73.120000000000005 111.12 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 73.230000000000004 110.884 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.6 p -60.91 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 61.149999999999999 111.115 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.93 -25.59 3.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.922 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 34.93 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 110.876 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -79.15 -19.97 49.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.938 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -51.55 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.813 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.6 mppt? -149.11 -29.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.949 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -43.36 -32.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.863 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.536 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -131.1 35.97 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' C ' ' O ' ' A' ' 9' ' ' MET . 17.1 mt -24.94 -61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 111.196 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.614 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.81 -53.08 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.88 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 34.539999999999999 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 64.140000000000001 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.936 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.86 -147.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 61.310000000000002 111.112 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.89 -25.57 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.030000000000001 110.941 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.936 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.37 35.0 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.020000000000003 110.868 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HB2' HG12 ' A' ' 2' ' ' VAL . 1.2 tmtm? -79.35 -20.14 48.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 55.020000000000003 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -70.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -149.0 -28.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.889 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -43.41 -32.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.531 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.2 mtp -129.91 36.07 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 65.439999999999998 110.887 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.29 -61.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 44.340000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.613 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.5 p90 -43.88 -53.14 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 71.340000000000003 111.147 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 74.019999999999996 110.964 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.937 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.92 -147.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.074 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.94 -25.57 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.912 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.937 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.35 35.01 4.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.91 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.742 ' HB2' HG12 ' A' ' 2' ' ' VAL . 4.6 tttp -79.33 -20.16 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.942 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.72 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 110.824 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -148.95 -28.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -43.46 -32.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 70.040000000000006 110.832 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -129.82 36.01 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.891 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' A' ' 9' ' ' MET . 5.9 mm -25.2 -61.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 62.200000000000003 111.147 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.616 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.79 -53.13 6.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 110.923 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.549999999999997 111.126 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 75.340000000000003 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.944 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.79 -148.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 71.450000000000003 111.129 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.875 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.97 -25.56 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 51.25 110.858 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.944 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.53 33.93 5.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 74.209999999999994 110.922 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.732 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -76.06 -20.73 57.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 73.209999999999994 110.964 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -80.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 65.230000000000004 110.9 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -139.77 -28.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 72.219999999999999 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -31.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.545 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.1 mtp -131.73 35.54 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' C ' ' O ' ' A' ' 9' ' ' MET . 7.3 mm -24.63 -62.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 111.123 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.4 p90 -43.18 -53.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 70.209999999999994 110.92 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.118 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.898 0.38 . . . . 74.25 110.958 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.934 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.8 p -61.13 -148.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 65.049999999999997 111.115 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -125.67 -26.17 3.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 70.420000000000002 110.91 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.934 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.19 32.84 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 110.944 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.746 ' HB2' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -69.8 -19.48 63.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.86 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.07 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.909 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -139.63 -28.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.897 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -30.26 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.502 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -124.44 34.58 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 110.908 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 9' ' ' MET . 2.8 mm -27.68 -57.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.611 ' C ' HD12 ' A' ' 12' ' ' ILE . 16.4 p90 -47.76 -54.25 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.907 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 70.310000000000002 110.962 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.946 HG21 ' CH2' ' A' ' 4' ' ' TRP . 3.5 p -60.62 -148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 74.200000000000003 111.213 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -126.95 -25.58 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.953 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.946 ' CH2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -118.64 33.92 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.944 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HB2' HG12 ' A' ' 2' ' ' VAL . 2.0 tttt -76.0 -20.8 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -48.36 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 72.239999999999995 110.766 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HA ' HG13 ' A' ' 10' ' ' ILE . 2.0 mppt? -139.53 -29.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 60.310000000000002 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -44.7 -30.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 72.129999999999995 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 10' ' ' ILE . 15.4 mtp -134.31 35.54 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 64.510000000000005 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 9' ' ' MET . 20.7 mt -24.42 -62.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 71.209999999999994 111.111 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.612 ' C ' HD12 ' A' ' 12' ' ' ILE . 11.3 p90 -43.25 -53.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 110.871 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.612 HD12 ' C ' ' A' ' 11' ' ' PHE . 2.9 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.219999999999999 111.153 -179.95 . . . . . . . . 1 1 . 1 stop_ save_