data_1wi9_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 1wi9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.02 -46.94 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 m -65.57 -46.11 80.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.62 -36.12 80.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 5.4 t80 -64.51 -40.64 96.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.444 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 76.7 mt -68.33 -45.04 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -59.4 -35.28 73.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.21 -37.96 86.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.529 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 mt -65.69 -44.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.6 mptm? -55.22 -49.93 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -69.34 -42.06 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.7 m -69.99 116.13 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -63.34 -54.94 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.8 t -121.43 117.84 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.84 126.16 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 tp -98.43 143.9 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 156' ' ' GLY . 13.8 mt -65.56 -41.93 92.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -64.98 -42.85 94.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.6 -34.92 65.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.7 -46.85 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.95 -35.61 81.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.21 -49.71 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 128' ' ' MET . 14.3 pt20 -64.85 -42.86 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.464 ' N ' ' HG3' ' A' ' 127' ' ' GLN . 11.0 mtt -86.49 -5.98 59.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.42 -39.88 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 29.9 mt -46.3 171.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -86.28 155.75 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 136' ' ' ILE . 93.8 m -55.97 -48.98 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.76 -43.65 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.67 -47.54 84.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.44 93.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 132' ' ' THR . 62.9 mt -61.07 -43.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.34 -41.14 75.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -67.54 -41.3 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.61 -45.15 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -62.5 -39.76 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -45.95 80.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.1 -38.18 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 148' ' ' LEU . 56.2 mt -71.01 -30.99 67.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 73.0 m -68.24 -41.87 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -74.79 -15.13 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.26 -21.58 42.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 42.6 m -40.94 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 160' ' ' TYR . 34.8 mt -139.93 147.24 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 74.9 p -121.76 122.97 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.68 39.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.38 151.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.07 134.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -97.11 176.65 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -10.62 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -97.61 21.56 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 121' ' ' LEU . . . 43.37 40.0 4.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -102.01 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.409 ' CE1' HD12 ' A' ' 143' ' ' LEU . 14.8 t80 -106.08 124.2 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.0 115.63 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 148' ' ' LEU . 5.2 t80 -101.79 131.55 48.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.01 -47.04 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 m -61.78 -46.22 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.81 -34.01 75.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 14.3 t80 -69.31 -40.76 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.7 mt -69.31 -45.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -53.5 -41.95 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.32 -39.14 93.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.558 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 53.8 mt -68.32 -37.92 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -57.17 -50.23 73.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -72.04 -42.26 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 m -70.01 114.62 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -67.49 -46.13 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -127.87 115.51 39.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.0 137.36 51.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 mp -98.94 141.84 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.99 -41.81 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.98 -42.93 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.61 -39.27 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -56.75 -41.13 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.93 -43.16 99.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.85 -43.22 75.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -54.0 -46.58 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.4 mtt -98.37 -5.22 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.81 -41.82 3.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 mt -41.69 156.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -72.74 158.02 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.9 m -57.31 -47.09 82.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -65.43 -36.74 84.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.47 -44.87 96.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.29 -42.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -56.14 -43.74 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -64.62 -41.19 96.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.85 -42.53 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.37 -40.33 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -45.61 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.05 -41.3 91.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 148' ' ' LEU . 45.9 mt -64.49 -33.39 75.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.9 m -68.54 -40.14 80.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.89 -20.51 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.51 -27.19 19.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 146' ' ' GLY . 90.8 m -36.22 -34.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 160' ' ' TYR . 43.7 mt -135.58 139.29 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 82.0 p -114.52 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.36 172.68 42.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.58 158.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.301 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.95 128.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 176.58 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 154' ' ' ASP . 1.1 t70 -70.94 -1.77 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -98.13 -4.17 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 73.95 27.99 65.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -94.64 155.61 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.7 125.73 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.11 113.9 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.507 ' CE1' HD23 ' A' ' 148' ' ' LEU . 17.9 t80 -109.01 143.82 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 HD23 ' NH1' ' A' ' 138' ' ' ARG . 3.1 mp -68.26 -47.78 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.3 m -64.27 -46.32 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -65.79 -36.45 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 13.0 t80 -67.14 -48.74 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.34 -47.74 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -53.62 -44.4 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -61.62 -37.85 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.482 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 81.5 mt -65.27 -42.73 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -57.79 -49.27 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -71.92 -42.13 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.5 m -70.0 100.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.09 -47.79 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.96 116.95 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.44 130.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.74 140.04 32.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.96 -41.94 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -64.97 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -72.72 -32.71 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.23 -37.28 84.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.06 -46.97 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -70.04 -40.09 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.03 -47.01 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 41.8 mtt -103.13 -1.9 28.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 85.73 -43.4 3.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.2 mt -37.94 143.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 131' ' ' ARG . 2.4 mpt_? -62.38 157.92 18.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.6 m -59.02 -41.76 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.22 -41.13 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.0 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.76 -43.79 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -57.64 -44.29 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.408 ' NH1' HD23 ' A' ' 106' ' ' LEU . 1.9 mmp_? -68.07 -43.22 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.58 -37.08 70.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.96 -35.07 79.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.23 -42.05 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 143' ' ' LEU . 2.4 mm? -71.96 -31.91 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 71.7 m -69.33 -40.86 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -77.66 -19.68 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.88 45.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.6 m -40.15 -40.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 160' ' ' TYR . 46.0 mt -127.15 139.01 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.7 p -115.57 124.54 51.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.48 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.73 145.17 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.82 133.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.34 172.24 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -58.66 -22.92 58.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -84.4 -11.32 56.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.66 38.64 19.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.69 146.12 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -104.25 122.36 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.85 113.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.567 ' CE1' HD21 ' A' ' 148' ' ' LEU . 21.7 t80 -95.47 123.58 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 mt -70.17 -47.82 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 79.8 m -64.99 -46.31 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.85 -33.43 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -70.12 -46.46 64.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.3 mt -66.22 -42.15 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.05 -44.47 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.73 -37.46 84.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 61.3 mt -66.95 -37.42 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -64.06 -50.14 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.9 ptpt -71.76 -42.22 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 118' ' ' VAL . 58.8 m -70.01 74.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -34.88 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' SER . 49.1 t -128.03 119.01 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.58 124.13 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.08 138.8 34.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.84 -41.98 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -64.98 -42.89 94.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -40.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 tp -56.06 -41.01 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -59.96 -46.45 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.87 -40.73 75.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 8.0 mm-40 -54.36 -46.97 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 34.0 mtt -105.05 5.17 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.27 -43.87 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 mt -37.44 155.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.29 152.87 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.9 m -55.11 -45.42 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 26.2 tp60 -68.47 -43.16 77.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -45.13 87.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.06 95.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 133' ' ' GLN . 1.1 m120 -55.98 -41.53 74.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -66.85 -48.41 68.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 143' ' ' LEU . 43.6 mt -61.66 -42.29 93.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -58.61 -40.36 83.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -43.15 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.15 -40.09 90.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 148' ' ' LEU . 55.8 mt -69.27 -36.57 77.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.3 m -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.35 -20.06 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.48 -25.72 23.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.4 m -41.65 -27.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 160' ' ' TYR . 73.4 mt -141.83 151.29 42.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.2 t -134.48 126.9 30.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.82 174.64 43.42 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.58 152.4 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.51 119.24 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.02 173.8 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -77.12 7.41 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -92.28 9.84 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 59.43 39.86 95.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -126.71 155.23 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -105.98 130.56 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.97 114.07 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 148' ' ' LEU . 41.5 t80 -96.45 143.36 27.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 130' ' ' LEU . 3.1 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.04 -47.84 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m -66.29 -46.3 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.85 -35.2 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.0 t80 -64.22 -45.16 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.459 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 96.8 mt -65.53 -44.88 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.553 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 76.7 mt -67.34 -45.13 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.2 mptm? -54.65 -50.17 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -72.09 -42.15 66.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.7 m -70.0 107.34 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.87 -45.82 92.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.7 115.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.08 124.48 73.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.35 141.66 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -67.86 -41.98 82.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.99 -43.04 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -74.95 -33.78 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.77 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.27 -45.3 85.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.63 -49.97 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -55.79 -45.28 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 mtt -90.63 -7.82 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.19 -38.99 2.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.431 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 47.1 mt -44.54 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -71.37 159.58 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.1 m -60.86 -47.11 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -68.99 -47.2 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.1 -44.83 87.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.4 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.26 -42.01 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -56.08 -32.04 63.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -60.54 -45.77 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.527 HG22 ' CE1' ' A' ' 158' ' ' PHE . 4.1 mp -69.59 -47.36 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.87 -41.25 95.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.67 -43.46 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.37 -36.84 82.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.2 mt -67.35 -35.54 79.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.9 m -66.53 -42.21 87.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.69 -14.14 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 96.02 -23.09 36.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 146' ' ' GLY . 35.1 m -35.32 -43.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 160' ' ' TYR . 37.9 mt -128.23 150.31 50.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.5 m -126.15 123.22 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -159.62 173.96 36.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.57 140.42 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.87 126.38 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -79.44 177.92 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.67 28.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -106.37 -15.98 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.26 41.4 6.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -130.9 157.06 43.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.527 ' CE1' HG22 ' A' ' 139' ' ' ILE . 16.3 t80 -104.9 124.31 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 76.5 mt -126.3 113.8 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.489 ' CE1' HD23 ' A' ' 148' ' ' LEU . 39.0 t80 -102.95 133.61 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.0 -47.53 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.2 -46.26 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.76 -35.97 81.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -69.49 -45.04 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.44 -42.34 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -62.82 -32.34 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.86 -34.0 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.7 mt -65.14 -47.15 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -71.38 -42.13 68.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 19.3 m -69.93 94.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -45.0 -59.5 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.6 t -119.24 117.98 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 58.7 t -117.03 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.61 142.81 26.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 156' ' ' GLY . 14.5 mt -63.17 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.77 -42.77 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -31.53 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 139' ' ' ILE . 28.2 tp -62.79 -46.68 86.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -69.63 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -55.78 -46.38 77.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.6 mtt -99.22 -4.56 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.39 -43.0 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 30.0 mt -40.94 151.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -66.15 157.18 31.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.8 m -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.68 -45.82 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.1 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.73 -42.08 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -56.05 -40.07 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -62.46 -46.51 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 124' ' ' LEU . 50.3 mt -61.44 -44.69 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.24 -36.85 68.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 145' ' ' GLU . 5.1 m-20 -68.14 -37.38 81.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 148' ' ' LEU . 66.3 mt -69.96 -49.02 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 143' ' ' LEU . 4.0 mm? -64.08 -39.28 93.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -41.63 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 8.3 mm-40 -73.36 -17.34 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.15 63.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 m -55.77 -34.27 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 160' ' ' TYR . 40.4 mt -134.35 163.23 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.1 p -134.16 125.87 28.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.406 ' N ' HD12 ' A' ' 143' ' ' LEU . . . -162.54 175.0 39.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.64 148.94 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 153' ' ' ASP . 94.0 mt -117.75 134.23 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' N ' HG21 ' A' ' 152' ' ' ILE . 12.5 t70 -108.84 172.03 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.09 -17.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -92.5 18.47 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 121' ' ' LEU . . . 44.16 37.4 4.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 158' ' ' PHE . 3.1 ttmp? -96.19 147.47 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 157' ' ' LYS . 42.4 t80 -110.46 127.7 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.89 115.73 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.451 ' CE1' HD21 ' A' ' 148' ' ' LEU . 49.7 t80 -100.91 122.83 44.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.9 -46.02 72.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.2 m -65.88 -46.22 79.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -37.51 82.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.2 -42.35 96.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.28 -40.84 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -54.4 -44.45 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 115' ' ' LYS . 51.5 t80 -61.7 -36.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.72 -41.08 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -60.12 -50.22 74.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 8.4 ptmm? -70.97 -42.04 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 4.1 t -69.92 115.01 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -65.52 -45.81 82.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.99 114.67 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 13.3 t -118.39 124.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.96 142.81 29.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.4 ' CD1' HG12 ' A' ' 136' ' ' ILE . 19.1 mt -63.91 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.99 -42.88 94.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.4 -38.67 63.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.4 tp -57.81 -39.23 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.15 -46.55 88.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -70.0 -40.21 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -54.95 -46.97 75.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 55.9 mtt -100.01 -6.6 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.7 -37.53 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.5 mt -42.8 160.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -73.61 158.08 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.3 m -59.41 -47.9 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.11 -41.94 97.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 -45.45 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 121' ' ' LEU . 56.0 mt -60.65 -45.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.28 -38.59 74.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -64.9 -48.66 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.69 -43.59 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.45 -41.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.59 -41.93 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.53 -37.89 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 148' ' ' LEU . 24.9 mt -70.23 -33.11 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.1 m -70.64 -42.76 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -69.8 -19.75 63.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.71 -23.41 31.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 55.9 m -37.9 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.515 HD23 ' CE1' ' A' ' 160' ' ' TYR . 35.5 mt -127.05 150.71 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 53.9 m -125.75 122.36 36.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.69 39.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.4 147.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.46 133.67 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -99.28 171.73 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -11.25 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -90.3 21.0 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.57 51.86 6.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -121.99 146.45 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.62 122.63 46.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 45.3 mt -118.36 115.66 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.515 ' CE1' HD23 ' A' ' 148' ' ' LEU . 8.9 t80 -105.21 135.21 46.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.62 -42.56 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.7 m -66.23 -46.36 77.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.84 -33.21 74.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 34.2 t80 -66.73 -44.08 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 66.5 mt -66.74 -45.93 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -54.25 -42.45 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.93 -40.92 99.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.563 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 46.5 mt -66.0 -39.78 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -55.32 -50.25 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -72.09 -42.24 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -69.96 117.87 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.77 -55.71 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.45 120.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.8 125.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.94 143.97 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.46 -35.34 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.0 -43.03 93.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.04 -36.97 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.07 -41.75 97.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.13 -46.99 86.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 6.3 t80 -68.8 -41.56 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.1 -46.99 84.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.6 mtt -98.27 -0.47 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 82.48 -43.01 2.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -44.01 161.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.32 154.88 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.7 m -57.16 -48.83 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.95 -45.09 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -45.73 87.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.83 98.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.07 -42.04 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.94 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.84 -39.32 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.85 -41.98 92.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.81 -36.16 82.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 48.8 mt -67.87 -41.31 83.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 148' ' ' LEU . 74.3 mt -70.34 -38.05 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.4 m -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.58 -18.4 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.75 -24.46 30.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.6 m -39.62 -34.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 111.198 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CZ ' ' A' ' 160' ' ' TYR . 39.7 mt -135.25 152.33 51.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' A' ' 160' ' ' TYR . 3.1 t -134.03 129.13 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.42 174.62 43.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.06 139.14 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.0 mt -119.45 119.14 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.91 177.8 5.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.14 21.73 1.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -102.89 -15.52 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.32 39.93 7.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.55 156.79 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -105.7 129.04 54.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 57.2 mt -128.85 113.84 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.505 ' CZ ' HD23 ' A' ' 148' ' ' LEU . 6.5 t80 -109.04 145.61 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 130' ' ' LEU . 16.2 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.924 0.393 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.48 -47.79 62.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -64.2 -46.22 84.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.82 -34.72 77.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CE1' HD11 ' A' ' 113' ' ' ILE . 6.8 t80 -63.66 -46.99 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.17 -41.52 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -53.45 -28.54 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -75.99 -33.8 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.528 HD11 ' CE1' ' A' ' 109' ' ' PHE . 88.6 mt -64.77 -42.75 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -50.2 67.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -72.07 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 3.5 t -70.01 106.26 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -59.43 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.98 114.98 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 11.8 t -117.18 130.78 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.406 ' CD1' ' HD3' ' A' ' 157' ' ' LYS . 23.4 tp -98.98 143.32 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.54 -42.02 87.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.01 -42.95 93.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.0 -35.23 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.4 -43.16 99.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.16 -44.85 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.4 t80 -69.76 -38.97 76.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -56.62 -44.83 81.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 33.2 mtt -96.7 -16.48 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 95.61 -28.25 12.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 105' ' ' PHE . 84.0 mt -51.67 147.37 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -56.86 153.02 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.6 m -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.94 -46.45 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.1 -44.22 87.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 139' ' ' ILE . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.65 -43.2 98.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.1 -32.57 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.3 -46.92 84.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -70.0 -42.89 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.07 -40.87 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.91 -45.21 82.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.84 -42.14 97.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -31.74 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.9 m -71.77 -46.57 57.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.24 -18.43 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.35 37.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -40.55 -32.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CZ ' ' A' ' 160' ' ' TYR . 28.1 mt -137.83 155.75 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 60.9 m -129.37 122.05 28.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -160.69 174.93 37.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.42 147.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.48 132.39 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.62 172.92 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.75 -7.66 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -98.72 21.9 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.66 43.69 8.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.406 ' HD3' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -107.22 153.07 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.943 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -107.48 122.18 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.37 115.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.505 ' CZ ' HD23 ' A' ' 148' ' ' LEU . 9.6 t80 -107.84 134.47 50.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.933 0.396 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.23 -44.78 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -46.07 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -63.77 -36.42 83.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.545 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 12.9 t80 -68.07 -46.64 70.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.11 -44.25 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -56.91 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.81 -35.83 77.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 63.7 mt -67.54 -41.11 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.74 -50.06 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -71.84 -42.14 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 m -69.93 109.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.75 -44.13 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.4 t -127.48 117.75 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.05 123.98 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.26 142.96 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 136' ' ' ILE . 18.4 mt -61.94 -40.41 95.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.01 -42.85 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.11 -39.89 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.79 -38.87 89.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.01 -46.32 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -69.97 -43.81 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -56.14 -46.75 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 52.5 mtt -94.97 -9.49 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 86.87 -34.23 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.1 mt -48.75 153.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 161.83 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.6 m -64.96 -48.1 75.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -66.83 -43.98 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.95 -48.58 81.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 139' ' ' ILE . . . -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 121' ' ' LEU . 58.3 mt -61.47 -42.62 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -57.45 -32.15 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -63.93 -47.35 80.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -67.79 -48.24 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.05 -37.77 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -42.11 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.17 -43.57 73.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 mt -64.11 -32.39 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.6 m -68.67 -46.4 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.24 -17.87 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.22 -18.52 48.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 24.4 m -42.18 -26.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 160' ' ' TYR . 28.4 mt -144.57 152.09 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.8 t -124.88 127.88 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.49 43.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.78 147.91 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.8 mt -114.47 133.08 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.57 171.62 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.22 -8.61 8.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -101.41 22.98 11.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 51.33 25.12 11.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 158' ' ' PHE . 1.5 tmtp? -86.56 142.05 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.425 ' N ' ' HD3' ' A' ' 157' ' ' LYS . 30.6 t80 -104.46 122.41 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 26.5 mt -120.01 113.51 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.558 ' CE1' HD21 ' A' ' 148' ' ' LEU . 11.4 t80 -107.31 146.75 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -64.45 -46.29 83.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.77 -34.75 77.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 29.8 t80 -67.93 -43.62 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.17 -46.78 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -53.82 -44.41 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -61.64 -43.19 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.448 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 55.7 mt -62.72 -37.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' A' ' 160' ' ' TYR . 32.8 mmtt -65.36 -50.22 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.75 -42.55 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 119' ' ' VAL . 36.2 p -70.2 114.27 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -61.66 -60.4 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.22 113.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 116' ' ' SER . 13.5 t -117.42 133.22 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -95.8 135.9 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.66 -42.27 96.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 120' ' ' LEU . 17.3 mt-10 -65.0 -36.01 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -74.98 -35.18 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 139' ' ' ILE . 41.9 tp -62.16 -39.85 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.27 -46.43 88.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.6 t80 -70.01 -46.95 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -56.0 -46.25 78.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 mtt -96.95 -1.42 45.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.53 -44.46 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.6 mt -41.83 154.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -71.34 151.8 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.2 m -55.2 -47.69 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -66.43 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.67 -49.01 79.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.83 92.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.15 -42.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -55.91 -42.69 76.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -41.95 75.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 124' ' ' LEU . 38.0 mt -62.93 -41.93 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.2 -41.24 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.27 -42.69 96.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.67 -35.52 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.97 -31.71 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 86.3 m -67.21 -42.18 84.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.33 -18.33 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 106.87 -22.58 29.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.8 m -40.12 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 160' ' ' TYR . 32.6 mt -145.89 139.07 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 89.9 m -123.63 121.94 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.99 43.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.56 153.88 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 49.6 mt -126.55 119.43 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.79 176.86 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.55 2.41 19.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -91.28 20.33 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.18 39.5 34.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 158' ' ' PHE . 4.8 tppt? -120.92 147.04 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.452 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 46.6 t80 -104.46 122.05 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.22 113.03 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 148' ' ' LEU . 28.8 t80 -97.5 128.44 44.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.104 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.6 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.37 -47.71 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -63.83 -46.27 85.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.87 -36.16 79.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 52.8 t80 -64.76 -42.45 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 50.7 mt -69.27 -52.51 32.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -55.67 -35.52 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -68.31 -41.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -62.61 -36.07 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.452 ' CE ' HD22 ' A' ' 148' ' ' LEU . 1.8 mptm? -63.81 -48.74 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -64.55 -42.57 95.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.448 ' OG ' ' CG2' ' A' ' 119' ' ' VAL . 12.1 p -70.33 102.88 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -48.64 -55.73 10.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 81.3 t -125.82 117.25 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.448 ' CG2' ' OG ' ' A' ' 116' ' ' SER . 16.0 t -116.97 131.77 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.97 141.28 31.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.23 -42.1 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.12 -43.06 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.45 -37.33 71.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -60.25 -39.16 85.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.0 -46.96 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -69.08 -44.66 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 127' ' ' GLN . 1.4 tm0? -55.69 -45.43 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.5 mtt -95.74 -4.29 44.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.29 -42.94 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt -42.32 162.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -78.47 159.58 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.3 m -55.34 -45.5 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -68.98 -38.32 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.27 -48.94 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.03 -41.98 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -56.03 -44.39 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -63.76 -45.37 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.1 -43.17 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -56.62 -36.06 69.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -68.27 -35.31 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 148' ' ' LEU . 71.7 mt -70.75 -46.4 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 143' ' ' LEU . 2.2 mm? -63.97 -34.75 78.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.88 -46.41 78.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.02 -16.76 61.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.89 -15.41 61.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 87.0 m -41.1 -32.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 142' ' ' LEU . 35.8 mt -133.72 151.43 51.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.9 t -133.11 127.23 33.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.42 43.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.18 139.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 65.9 mt -116.04 119.34 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.52 176.71 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.09 25.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.33 -16.26 14.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.84 41.31 5.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -127.86 158.92 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -109.63 126.34 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.0 mt -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.428 ' CE1' HD21 ' A' ' 148' ' ' LEU . 45.0 t80 -108.26 143.7 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.32 -47.8 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.3 m -66.27 -46.34 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -67.74 -37.37 82.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 12.6 t80 -63.86 -44.78 92.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.56 -39.94 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -54.19 -44.41 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 116' ' ' SER . 4.1 t80 -62.72 -38.93 92.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 74.3 mt -67.08 -37.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -65.19 -50.39 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.3 pttt -72.29 -39.1 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.521 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 9.5 t -69.97 107.95 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.75 -48.63 74.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.99 118.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.12 126.74 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -98.47 144.01 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.59 -40.01 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.97 -43.03 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.99 -37.58 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.75 -44.07 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -61.08 -45.93 92.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -69.0 -41.81 77.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -58.96 -46.02 89.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.1 mtt -100.05 4.18 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 77.83 -47.05 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.1 mt -38.51 153.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.48 157.02 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.8 m -56.58 -47.82 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -67.68 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.07 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.02 -41.96 88.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -56.09 -43.8 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.33 83.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.57 -40.0 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -61.08 -40.2 92.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.55 -40.93 84.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.61 -43.03 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 148' ' ' LEU . 32.3 mt -63.94 -33.36 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.5 m -68.34 -44.62 74.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.37 -20.84 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.54 -27.22 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.1 m -36.0 -33.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 160' ' ' TYR . 27.7 mt -133.17 145.67 50.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 92.7 m -126.88 122.31 34.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.89 175.02 43.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.19 152.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.68 119.22 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 169.08 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.85 0.1 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -7.65 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.46 34.54 25.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -119.23 151.46 38.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -105.6 124.58 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.22 113.07 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.495 ' CE1' HD21 ' A' ' 148' ' ' LEU . 13.3 t80 -97.84 150.66 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 78.8 mt -69.72 -47.38 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 -45.18 81.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.84 -34.17 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 17.9 t80 -68.8 -48.55 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.02 -49.94 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.43 -39.9 64.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.8 -44.96 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.546 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 35.5 mt -63.22 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.91 -50.17 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -72.05 -42.17 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 m -69.95 113.91 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -58.51 -55.05 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.6 t -127.94 124.46 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.4 t -120.15 125.84 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.05 136.41 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.56 -42.32 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -74.96 -36.77 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.73 -44.84 96.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' CA ' ' A' ' 129' ' ' GLY . . . -65.98 -36.3 82.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 9.4 t80 -69.97 -50.0 46.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -65.07 -46.82 79.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.0 mtt -89.23 -1.45 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 125' ' ' ALA . . . 75.33 -47.57 2.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 125' ' ' ALA . 62.7 mt -36.83 153.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -69.71 155.64 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.6 m -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -63.52 -41.08 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -58.22 -47.24 84.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.95 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 53.7 mt -61.11 -46.81 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.34 -39.73 76.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -63.49 -47.45 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 158' ' ' PHE . 39.1 mt -63.64 -47.68 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.46 -38.8 72.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.39 -46.95 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.39 -36.03 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.4 m -68.25 -43.15 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.51 -18.9 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.89 -26.23 24.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 47.8 m -38.44 -34.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.513 HD23 ' CZ ' ' A' ' 160' ' ' TYR . 29.4 mt -135.17 155.07 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.4 p -128.86 123.5 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.98 172.66 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.49 151.9 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 89.1 mt -123.43 125.97 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.5 175.73 7.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.06 -18.73 65.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -86.29 -2.14 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 70.97 31.58 66.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -88.92 147.32 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.552 ' CZ ' HG23 ' A' ' 139' ' ' ILE . 6.0 t80 -104.26 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 48.7 mt -133.09 113.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.513 ' CZ ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -101.83 136.52 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.24 -43.22 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.0 m -66.36 -46.44 76.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -38.69 83.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -66.04 -48.79 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.55 -46.01 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -55.32 -36.52 66.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.86 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 109' ' ' PHE . 67.3 mt -67.25 -40.76 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -53.85 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -72.14 -42.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.2 m -70.01 101.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.63 -44.91 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.3 119.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.01 133.06 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -98.6 137.73 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.8 mt -68.02 -42.04 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.0 -43.09 93.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.09 -38.78 61.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 15.4 tp -62.18 -39.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -46.95 88.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.93 -42.36 73.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.433 ' C ' ' CD ' ' A' ' 127' ' ' GLN . 1.8 tm0? -55.81 -47.01 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.2 mtt -95.2 -5.04 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 83.44 -37.33 2.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.9 mt -45.03 161.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -76.27 153.31 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.1 m -57.17 -43.53 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.419 ' HG3' ' ND2' ' A' ' 137' ' ' ASN . 17.5 tp60 -68.83 -44.85 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.55 -49.03 78.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.48 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -50.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 133' ' ' GLN . 84.4 m-20 -61.29 -36.87 81.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -68.56 -37.29 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.56 -49.08 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.417 ' NE2' HD12 ' A' ' 152' ' ' ILE . 12.9 mm-40 -55.44 -34.37 64.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.29 -32.76 73.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.95 -36.54 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.94 -33.21 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.7 m -66.91 -38.44 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -80.73 10.56 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.68 20.26 69.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.9 m -80.12 -38.07 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 160' ' ' TYR . 54.1 mt -134.19 147.27 50.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.0 m -126.07 121.96 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -169.01 174.81 43.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.86 144.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.417 HD12 ' NE2' ' A' ' 140' ' ' GLN . 71.2 mt -110.87 115.6 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -76.33 177.74 7.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.16 13.62 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -95.54 -0.35 52.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.49 43.42 86.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -130.6 161.2 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -104.06 122.0 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.05 113.41 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.567 ' CE1' HD21 ' A' ' 148' ' ' LEU . 72.4 t80 -110.95 137.33 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 73.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.895 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' HD12 ' A' ' 130' ' ' LEU . 20.1 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.04 -46.93 82.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.2 m -62.21 -46.24 89.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.28 -40.46 86.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.486 ' CE1' HD12 ' A' ' 113' ' ' ILE . 5.0 t80 -65.69 -42.05 91.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.93 -44.68 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.5 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -66.6 -35.11 79.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD12 ' CE1' ' A' ' 109' ' ' PHE . 56.6 mt -68.19 -45.03 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -54.33 -50.1 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -72.14 -41.96 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.1 m -69.89 97.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -43.89 -49.61 8.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.2 t -128.01 135.34 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.57 126.02 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.28 143.95 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -36.42 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.99 -37.79 86.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.97 -46.86 76.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.9 t80 -70.01 -39.71 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.09 -46.92 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.5 mtt -103.4 -1.89 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.37 -36.42 2.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.466 HD12 ' CZ ' ' A' ' 105' ' ' PHE . 44.5 mt -40.59 153.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -64.75 151.51 45.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.0 m -56.47 -48.83 76.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.73 -39.0 90.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.42 -48.87 79.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.67 -42.42 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.89 -38.77 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -66.55 -39.8 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.53 -48.48 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.21 -38.54 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -68.62 -46.53 69.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.45 -36.71 85.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 148' ' ' LEU . 38.4 mt -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.9 m -69.43 -40.07 77.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -74.52 -20.52 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.8 -18.83 45.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.2 m -45.09 -27.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 160' ' ' TYR . 23.1 mt -139.59 143.8 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 34.5 m -116.97 122.38 44.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.14 174.55 42.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.74 149.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.84 129.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -94.23 176.41 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.88 0.1 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -105.08 23.8 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.01 42.75 6.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -109.28 148.71 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -106.66 123.81 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.0 mt -121.64 115.5 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.526 ' CE1' HD21 ' A' ' 148' ' ' LEU . 6.7 t80 -108.94 141.19 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.27 -45.85 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.0 m -58.82 -46.38 87.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 12.5 pt-20 -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 26.6 t80 -64.1 -46.52 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.12 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -53.45 -41.59 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.96 -37.62 86.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.5 mt -68.06 -39.13 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.96 -50.19 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -72.21 -42.26 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -70.07 103.08 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -60.77 -35.54 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 94.9 t -128.05 112.27 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.1 t -117.79 124.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.97 142.22 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.07 -41.98 81.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.99 -42.36 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.28 -40.44 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.4 tp -56.13 -41.65 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -44.66 97.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.52 -46.28 80.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 36.6 mtt -101.98 -6.79 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 88.96 -37.82 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.8 mt -38.32 152.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -65.15 153.93 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.1 m -55.52 -47.08 76.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -68.95 -43.26 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.09 -47.89 83.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.444 ' O ' ' CD1' ' A' ' 139' ' ' ILE . . . -61.83 -45.73 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.1 mt -60.89 -42.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -55.91 -33.72 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -63.7 -47.68 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 135' ' ' ALA . 5.4 mp -67.58 -42.36 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -56.06 -40.91 74.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -68.81 -41.21 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.36 -46.53 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 148' ' ' LEU . 32.0 mt -64.79 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.8 m -68.04 -39.32 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.36 -20.17 59.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 106.47 -28.71 12.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.3 m -36.02 -36.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.336 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.46 ' CB ' HD21 ' A' ' 143' ' ' LEU . 33.4 mt -133.34 156.25 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.6 p -132.66 122.97 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.37 174.8 38.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.2 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 80.2 mt -123.67 134.89 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -99.42 173.56 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -56.46 -14.69 3.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -94.67 23.95 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 45.27 28.4 2.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -87.92 140.46 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -107.58 122.53 46.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 56.2 mt -117.56 116.51 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -104.87 120.04 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.08 -46.68 67.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -65.21 -45.88 82.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.29 -34.08 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 4.0 t80 -68.03 -48.51 65.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.75 -39.02 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -54.95 -33.65 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -65.5 -46.23 80.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 59.7 mt -66.86 -43.66 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.95 -47.61 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -71.05 -42.19 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -70.12 -174.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -125.96 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.47 110.63 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.99 125.84 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.95 144.1 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.85 -42.17 75.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.96 -42.98 94.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.58 -40.02 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.38 -43.44 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.58 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.082 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 3.8 t80 -68.19 -42.42 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.04 -46.34 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.0 mtt -91.71 -3.98 55.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.83 -38.46 3.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.9 mt -45.88 159.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -75.1 158.28 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.3 m -62.36 -46.72 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.94 -37.4 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -48.95 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.05 98.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.01 -42.15 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -56.93 -43.92 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -45.36 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.17 -45.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -56.0 -39.32 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.42 -35.51 81.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.58 -50.09 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 143' ' ' LEU . 4.1 mm? -64.07 -31.91 73.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 36.8 m -69.46 -47.55 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.63 -20.19 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.6 -22.34 30.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.9 m -38.29 -35.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 160' ' ' TYR . 44.9 mt -134.25 151.49 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 69.2 p -128.7 122.3 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.38 175.0 43.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.38 158.45 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 92.0 mt -126.48 133.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -102.87 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -49.53 -22.55 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -89.09 21.98 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.28 36.23 2.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.36 144.23 26.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -103.93 135.72 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.26 114.34 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 148' ' ' LEU . 15.7 t80 -105.81 133.15 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.24 -47.02 81.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.2 m -65.91 -44.6 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.27 -33.36 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 21.6 t80 -66.48 -44.48 82.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.8 -46.21 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -55.87 -39.56 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -64.79 -39.85 94.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 70.9 mt -64.91 -37.6 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -58.11 -50.14 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -72.07 -41.92 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -69.99 111.64 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 118' ' ' VAL . 14.9 ptpt -67.89 -41.44 82.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 90.2 t -127.98 114.82 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.1 t -117.12 126.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 157' ' ' LYS . 51.4 tp -98.21 134.57 41.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.92 -41.82 92.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.27 -42.94 99.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.85 -30.91 61.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.03 -46.81 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.51 -41.5 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -69.93 -43.8 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.99 -45.87 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.9 mtt -94.35 -5.16 47.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.71 -42.61 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 61.7 mt -39.24 150.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -60.68 160.62 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.5 m -62.42 -48.93 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -67.42 -38.53 84.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -47.73 84.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.45 93.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.19 -42.32 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -56.89 -32.28 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 138' ' ' ARG . 3.9 mmm180 -65.22 -48.97 71.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.9 mp -63.45 -38.88 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -55.98 -43.27 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.4 -34.64 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.8 -48.81 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 143' ' ' LEU . 3.0 mm? -65.74 -32.62 74.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 96.1 m -71.52 -40.93 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -78.45 -20.88 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.16 -22.92 33.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 88.0 m -38.5 -39.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.164 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.565 HD23 ' CE1' ' A' ' 160' ' ' TYR . 20.2 mt -130.09 150.99 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.9 m -128.84 126.84 40.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -166.55 174.92 42.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.4 m -127.28 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 64.0 mt -112.61 133.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -97.34 170.99 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -12.41 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -93.47 23.46 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.67 35.76 4.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.429 ' CD ' HD12 ' A' ' 120' ' ' LEU . 20.8 mmmt -100.07 145.99 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.54 122.85 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.0 114.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.565 ' CE1' HD23 ' A' ' 148' ' ' LEU . 71.2 t80 -104.87 138.9 40.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.02 -47.73 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -66.34 -46.31 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.68 -33.08 74.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.474 ' CE2' HD13 ' A' ' 113' ' ' ILE . 50.5 t80 -64.34 -43.5 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.27 -38.09 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -53.03 -27.82 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.6 -43.7 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.474 HD13 ' CE2' ' A' ' 109' ' ' PHE . 23.8 mt -68.41 -45.58 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -54.03 -50.17 67.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.19 -42.13 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -70.08 116.38 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.41 -52.52 64.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -127.38 117.46 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.36 134.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.9 tp -98.71 141.13 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.4 mt -64.1 -42.02 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.96 -43.01 94.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.01 -34.9 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 139' ' ' ILE . 61.6 tp -60.36 -37.52 80.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.71 -46.97 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -69.48 -39.78 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.3 -46.71 72.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.4 mtt -99.05 -6.96 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.16 -36.03 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 mt -42.45 165.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -77.54 155.8 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.0 m -56.73 -48.03 78.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -67.87 -40.84 83.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.95 -47.41 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.51 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 50.0 mt -60.47 -42.03 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.95 -40.26 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -66.12 -47.36 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.457 HD13 ' CD2' ' A' ' 124' ' ' LEU . 44.3 mt -62.72 -46.96 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -57.06 -40.32 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.8 -45.2 83.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.61 -45.13 84.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 158' ' ' PHE . 25.6 mt -64.73 -36.3 83.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.0 m -62.09 -45.83 91.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.04 -19.07 62.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.36 -15.68 42.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.8 m -42.48 -29.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 160' ' ' TYR . 55.3 mt -142.52 157.6 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 37.5 p -133.8 122.94 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.88 172.2 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.87 151.68 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.3 mt -110.57 132.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.43 174.04 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.55 -9.75 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -97.9 19.44 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.67 28.07 14.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -93.29 144.06 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 143' ' ' LEU . 16.6 t80 -105.86 122.61 46.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.2 mt -113.02 119.03 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 148' ' ' LEU . 74.4 t80 -107.73 124.39 49.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -60.32 148.53 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 p -117.66 171.4 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.08 -152.47 21.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.8 m -84.24 50.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.0 p -95.11 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.62 -42.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.77 -34.2 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.02 -46.94 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 m -65.57 -46.11 80.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.62 -36.12 80.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 5.4 t80 -64.51 -40.64 96.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.444 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 76.7 mt -68.33 -45.04 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -59.4 -35.28 73.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.21 -37.96 86.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.529 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 mt -65.69 -44.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.6 mptm? -55.22 -49.93 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -69.34 -42.06 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.7 m -69.99 116.13 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -63.34 -54.94 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.8 t -121.43 117.84 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.84 126.16 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 tp -98.43 143.9 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 156' ' ' GLY . 13.8 mt -65.56 -41.93 92.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -64.98 -42.85 94.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.6 -34.92 65.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.7 -46.85 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.95 -35.61 81.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.21 -49.71 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 128' ' ' MET . 14.3 pt20 -64.85 -42.86 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.464 ' N ' ' HG3' ' A' ' 127' ' ' GLN . 11.0 mtt -86.49 -5.98 59.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.42 -39.88 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 29.9 mt -46.3 171.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -86.28 155.75 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 136' ' ' ILE . 93.8 m -55.97 -48.98 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.76 -43.65 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.67 -47.54 84.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.44 93.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 132' ' ' THR . 62.9 mt -61.07 -43.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.34 -41.14 75.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -67.54 -41.3 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.61 -45.15 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -62.5 -39.76 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -45.95 80.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.1 -38.18 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 148' ' ' LEU . 56.2 mt -71.01 -30.99 67.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 73.0 m -68.24 -41.87 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -74.79 -15.13 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.26 -21.58 42.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 42.6 m -40.94 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 160' ' ' TYR . 34.8 mt -139.93 147.24 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 74.9 p -121.76 122.97 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.68 39.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.38 151.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.07 134.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -97.11 176.65 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -10.62 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -97.61 21.56 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 121' ' ' LEU . . . 43.37 40.0 4.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -102.01 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.409 ' CE1' HD12 ' A' ' 143' ' ' LEU . 14.8 t80 -106.08 124.2 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.0 115.63 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 148' ' ' LEU . 5.2 t80 -101.79 131.55 48.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.1 mt -115.08 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -105.3 141.19 22.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 117.69 5.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.9 t -78.99 127.21 31.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 115.21 -94.87 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.49 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 94.5 p -92.94 44.03 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 26.3 t -118.65 148.17 43.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.4 p 38.89 42.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.3 p -137.6 171.12 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.61 -135.13 14.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -102.94 42.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.8 m -94.49 -51.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.22 51.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.44 -37.46 86.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.01 -47.04 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 m -61.78 -46.22 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.81 -34.01 75.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 14.3 t80 -69.31 -40.76 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.7 mt -69.31 -45.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -53.5 -41.95 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.32 -39.14 93.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.558 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 53.8 mt -68.32 -37.92 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -57.17 -50.23 73.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -72.04 -42.26 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 m -70.01 114.62 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -67.49 -46.13 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -127.87 115.51 39.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.0 137.36 51.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 mp -98.94 141.84 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.99 -41.81 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.98 -42.93 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.61 -39.27 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -56.75 -41.13 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.93 -43.16 99.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.85 -43.22 75.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -54.0 -46.58 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.4 mtt -98.37 -5.22 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.81 -41.82 3.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 mt -41.69 156.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -72.74 158.02 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.9 m -57.31 -47.09 82.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -65.43 -36.74 84.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.47 -44.87 96.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.29 -42.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -56.14 -43.74 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -64.62 -41.19 96.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.85 -42.53 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.37 -40.33 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -45.61 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.05 -41.3 91.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 148' ' ' LEU . 45.9 mt -64.49 -33.39 75.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.9 m -68.54 -40.14 80.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.89 -20.51 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.51 -27.19 19.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 146' ' ' GLY . 90.8 m -36.22 -34.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 160' ' ' TYR . 43.7 mt -135.58 139.29 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 82.0 p -114.52 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.36 172.68 42.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.58 158.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.301 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.95 128.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 176.58 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 154' ' ' ASP . 1.1 t70 -70.94 -1.77 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -98.13 -4.17 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 73.95 27.99 65.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -94.64 155.61 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.7 125.73 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.11 113.9 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.507 ' CE1' HD23 ' A' ' 148' ' ' LEU . 17.9 t80 -109.01 143.82 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.9 mt -117.21 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -84.23 141.17 39.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.52 0.676 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 151.02 68.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.3 m 58.67 32.09 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -145.62 146.06 15.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 93.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 98.6 p -41.37 -48.33 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 66.2 m -122.91 150.73 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 55.8 m -91.71 -54.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 t -174.18 128.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.03 45.34 1.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 m -42.01 -51.92 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -79.1 -58.08 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.43 -39.66 2.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.49 -39.15 86.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 HD23 ' NH1' ' A' ' 138' ' ' ARG . 3.1 mp -68.26 -47.78 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.3 m -64.27 -46.32 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -65.79 -36.45 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 13.0 t80 -67.14 -48.74 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.34 -47.74 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -53.62 -44.4 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -61.62 -37.85 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.482 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 81.5 mt -65.27 -42.73 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -57.79 -49.27 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -71.92 -42.13 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.5 m -70.0 100.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.09 -47.79 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.96 116.95 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.44 130.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.74 140.04 32.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.96 -41.94 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -64.97 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -72.72 -32.71 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.23 -37.28 84.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.06 -46.97 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -70.04 -40.09 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.03 -47.01 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 41.8 mtt -103.13 -1.9 28.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 85.73 -43.4 3.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.2 mt -37.94 143.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 131' ' ' ARG . 2.4 mpt_? -62.38 157.92 18.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.6 m -59.02 -41.76 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.22 -41.13 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.0 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.76 -43.79 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -57.64 -44.29 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.408 ' NH1' HD23 ' A' ' 106' ' ' LEU . 1.9 mmp_? -68.07 -43.22 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.58 -37.08 70.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.96 -35.07 79.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.23 -42.05 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 143' ' ' LEU . 2.4 mm? -71.96 -31.91 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 71.7 m -69.33 -40.86 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -77.66 -19.68 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.88 45.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.6 m -40.15 -40.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 160' ' ' TYR . 46.0 mt -127.15 139.01 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.7 p -115.57 124.54 51.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.48 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.73 145.17 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.82 133.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.34 172.24 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -58.66 -22.92 58.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -84.4 -11.32 56.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.66 38.64 19.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.69 146.12 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -104.25 122.36 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.85 113.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.567 ' CE1' HD21 ' A' ' 148' ' ' LEU . 21.7 t80 -95.47 123.58 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 60.5 mt -115.86 92.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.452 ' HB ' ' CE2' ' A' ' 160' ' ' TYR . 1.3 t -108.19 141.22 22.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.53 25.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 79.2 p -123.04 133.52 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -54.29 -70.01 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 87.18 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.407 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 25.0 m -55.17 -61.85 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 56.6 m 60.95 41.99 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.9 m -46.6 124.6 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.6 p -161.73 172.52 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.99 78.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t -97.37 151.72 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -138.34 118.91 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.43 53.19 1.16 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.01 -36.39 79.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 mt -70.17 -47.82 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 79.8 m -64.99 -46.31 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.85 -33.43 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -70.12 -46.46 64.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.3 mt -66.22 -42.15 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.05 -44.47 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.73 -37.46 84.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 61.3 mt -66.95 -37.42 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -64.06 -50.14 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.9 ptpt -71.76 -42.22 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 118' ' ' VAL . 58.8 m -70.01 74.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -34.88 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' SER . 49.1 t -128.03 119.01 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.58 124.13 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.08 138.8 34.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.84 -41.98 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -64.98 -42.89 94.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -40.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 tp -56.06 -41.01 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -59.96 -46.45 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.87 -40.73 75.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 8.0 mm-40 -54.36 -46.97 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 34.0 mtt -105.05 5.17 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.27 -43.87 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 mt -37.44 155.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.29 152.87 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.9 m -55.11 -45.42 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 26.2 tp60 -68.47 -43.16 77.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -45.13 87.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.06 95.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 133' ' ' GLN . 1.1 m120 -55.98 -41.53 74.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -66.85 -48.41 68.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 143' ' ' LEU . 43.6 mt -61.66 -42.29 93.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -58.61 -40.36 83.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -43.15 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.15 -40.09 90.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 148' ' ' LEU . 55.8 mt -69.27 -36.57 77.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.3 m -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.35 -20.06 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.48 -25.72 23.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.4 m -41.65 -27.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 160' ' ' TYR . 73.4 mt -141.83 151.29 42.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.2 t -134.48 126.9 30.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.82 174.64 43.42 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.58 152.4 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.51 119.24 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.02 173.8 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -77.12 7.41 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -92.28 9.84 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 59.43 39.86 95.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -126.71 155.23 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -105.98 130.56 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.97 114.07 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 148' ' ' LEU . 41.5 t80 -96.45 143.36 27.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.97 116.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -175.01 141.2 0.67 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 50.3 m -132.44 -41.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 156.13 -160.05 29.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 84.6 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 75.1 m -137.14 148.99 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 64.9 p -134.6 145.52 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.5 t 42.0 42.1 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.7 m -107.94 173.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 166.89 67.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.1 t 46.12 41.03 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -115.97 97.55 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.8 43.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 130' ' ' LEU . 3.1 t80 -63.01 -36.26 82.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.04 -47.84 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m -66.29 -46.3 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.85 -35.2 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.0 t80 -64.22 -45.16 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.459 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 96.8 mt -65.53 -44.88 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.553 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 76.7 mt -67.34 -45.13 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.2 mptm? -54.65 -50.17 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -72.09 -42.15 66.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.7 m -70.0 107.34 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.87 -45.82 92.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.7 115.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.08 124.48 73.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.35 141.66 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -67.86 -41.98 82.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.99 -43.04 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -74.95 -33.78 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.77 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.27 -45.3 85.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.63 -49.97 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -55.79 -45.28 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 mtt -90.63 -7.82 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.19 -38.99 2.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.431 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 47.1 mt -44.54 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -71.37 159.58 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.1 m -60.86 -47.11 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -68.99 -47.2 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.1 -44.83 87.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.4 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.26 -42.01 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -56.08 -32.04 63.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -60.54 -45.77 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.527 HG22 ' CE1' ' A' ' 158' ' ' PHE . 4.1 mp -69.59 -47.36 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.87 -41.25 95.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.67 -43.46 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.37 -36.84 82.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.2 mt -67.35 -35.54 79.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.9 m -66.53 -42.21 87.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.69 -14.14 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 96.02 -23.09 36.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 146' ' ' GLY . 35.1 m -35.32 -43.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 160' ' ' TYR . 37.9 mt -128.23 150.31 50.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.5 m -126.15 123.22 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -159.62 173.96 36.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.57 140.42 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.87 126.38 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -79.44 177.92 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.67 28.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -106.37 -15.98 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.26 41.4 6.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -130.9 157.06 43.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.527 ' CE1' HG22 ' A' ' 139' ' ' ILE . 16.3 t80 -104.9 124.31 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 76.5 mt -126.3 113.8 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.489 ' CE1' HD23 ' A' ' 148' ' ' LEU . 39.0 t80 -102.95 133.61 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.37 111.12 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 83.5 m -106.57 139.21 20.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.75 141.01 44.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 60.6 p -165.17 128.46 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -133.01 -74.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 92.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.5 m -88.57 127.1 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.6 m -144.23 134.42 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.0 p -50.57 107.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.0 p -129.7 108.4 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -107.17 110.23 3.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -94.35 159.01 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -55.84 112.94 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.28 63.03 1.42 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.0 -47.53 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.2 -46.26 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.76 -35.97 81.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -69.49 -45.04 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.44 -42.34 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -62.82 -32.34 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.86 -34.0 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.7 mt -65.14 -47.15 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -71.38 -42.13 68.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 19.3 m -69.93 94.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -45.0 -59.5 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.6 t -119.24 117.98 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 58.7 t -117.03 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.61 142.81 26.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 156' ' ' GLY . 14.5 mt -63.17 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.77 -42.77 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -31.53 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 139' ' ' ILE . 28.2 tp -62.79 -46.68 86.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -69.63 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -55.78 -46.38 77.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.6 mtt -99.22 -4.56 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.39 -43.0 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 30.0 mt -40.94 151.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -66.15 157.18 31.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.8 m -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.68 -45.82 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.1 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.73 -42.08 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -56.05 -40.07 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -62.46 -46.51 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 124' ' ' LEU . 50.3 mt -61.44 -44.69 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.24 -36.85 68.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 145' ' ' GLU . 5.1 m-20 -68.14 -37.38 81.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 148' ' ' LEU . 66.3 mt -69.96 -49.02 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 143' ' ' LEU . 4.0 mm? -64.08 -39.28 93.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -41.63 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 8.3 mm-40 -73.36 -17.34 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.15 63.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 m -55.77 -34.27 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 160' ' ' TYR . 40.4 mt -134.35 163.23 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.1 p -134.16 125.87 28.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.406 ' N ' HD12 ' A' ' 143' ' ' LEU . . . -162.54 175.0 39.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.64 148.94 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 153' ' ' ASP . 94.0 mt -117.75 134.23 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' N ' HG21 ' A' ' 152' ' ' ILE . 12.5 t70 -108.84 172.03 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.09 -17.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -92.5 18.47 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 121' ' ' LEU . . . 44.16 37.4 4.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 158' ' ' PHE . 3.1 ttmp? -96.19 147.47 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 157' ' ' LYS . 42.4 t80 -110.46 127.7 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.89 115.73 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.451 ' CE1' HD21 ' A' ' 148' ' ' LEU . 49.7 t80 -100.91 122.83 44.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.8 mt -92.79 121.04 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 85.6 m -132.02 139.18 34.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.9 Cg_endo -69.76 115.98 4.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.1 t -160.44 126.01 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -46.51 -80.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.55 69.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 28.4 m -143.56 119.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 40.5 p -90.34 -43.7 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.4 m -107.81 130.39 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -65.95 -61.55 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.41 110.5 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 p -153.08 174.59 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -59.99 170.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.51 -44.15 0.14 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -66.23 -39.55 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.9 -46.02 72.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.2 m -65.88 -46.22 79.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -37.51 82.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.2 -42.35 96.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.28 -40.84 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -54.4 -44.45 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 115' ' ' LYS . 51.5 t80 -61.7 -36.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.72 -41.08 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -60.12 -50.22 74.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 8.4 ptmm? -70.97 -42.04 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 4.1 t -69.92 115.01 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -65.52 -45.81 82.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.99 114.67 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 13.3 t -118.39 124.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.96 142.81 29.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' CD1' HG12 ' A' ' 136' ' ' ILE . 19.1 mt -63.91 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.99 -42.88 94.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.4 -38.67 63.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.4 tp -57.81 -39.23 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.15 -46.55 88.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -70.0 -40.21 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -54.95 -46.97 75.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 55.9 mtt -100.01 -6.6 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.7 -37.53 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.5 mt -42.8 160.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -73.61 158.08 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.3 m -59.41 -47.9 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.11 -41.94 97.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 -45.45 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 121' ' ' LEU . 56.0 mt -60.65 -45.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.28 -38.59 74.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -64.9 -48.66 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.69 -43.59 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.45 -41.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.59 -41.93 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.53 -37.89 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 148' ' ' LEU . 24.9 mt -70.23 -33.11 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.1 m -70.64 -42.76 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -69.8 -19.75 63.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.71 -23.41 31.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 55.9 m -37.9 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.515 HD23 ' CE1' ' A' ' 160' ' ' TYR . 35.5 mt -127.05 150.71 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 53.9 m -125.75 122.36 36.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.69 39.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.4 147.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.46 133.67 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -99.28 171.73 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -11.25 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -90.3 21.0 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.57 51.86 6.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -121.99 146.45 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.62 122.63 46.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 45.3 mt -118.36 115.66 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.515 ' CE1' HD23 ' A' ' 148' ' ' LEU . 8.9 t80 -105.21 135.21 46.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 40.3 mt -100.46 117.21 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 84.1 m -145.28 139.22 14.8 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.601 0.715 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 54.0 Cg_endo -69.74 144.79 55.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.9 t -59.15 135.17 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.89 156.2 13.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 41.5 t -45.54 158.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 73.3 m -74.92 -61.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p -64.3 94.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 t 70.64 42.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.77 144.43 15.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -71.33 128.41 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -110.83 97.28 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.22 40.37 2.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 0.4 OUTLIER -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.62 -42.56 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.7 m -66.23 -46.36 77.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.84 -33.21 74.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 34.2 t80 -66.73 -44.08 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 66.5 mt -66.74 -45.93 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -54.25 -42.45 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.93 -40.92 99.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.563 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 46.5 mt -66.0 -39.78 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -55.32 -50.25 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -72.09 -42.24 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -69.96 117.87 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.77 -55.71 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.45 120.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.8 125.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.94 143.97 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.46 -35.34 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.0 -43.03 93.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.04 -36.97 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.07 -41.75 97.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.13 -46.99 86.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 6.3 t80 -68.8 -41.56 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.1 -46.99 84.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.6 mtt -98.27 -0.47 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 82.48 -43.01 2.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -44.01 161.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.32 154.88 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.7 m -57.16 -48.83 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.95 -45.09 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -45.73 87.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.83 98.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.07 -42.04 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.94 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.84 -39.32 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.85 -41.98 92.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.81 -36.16 82.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 48.8 mt -67.87 -41.31 83.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 148' ' ' LEU . 74.3 mt -70.34 -38.05 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.4 m -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.58 -18.4 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.75 -24.46 30.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.6 m -39.62 -34.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 111.198 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CZ ' ' A' ' 160' ' ' TYR . 39.7 mt -135.25 152.33 51.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' A' ' 160' ' ' TYR . 3.1 t -134.03 129.13 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.42 174.62 43.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.06 139.14 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.0 mt -119.45 119.14 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.91 177.8 5.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.14 21.73 1.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -102.89 -15.52 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.32 39.93 7.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.55 156.79 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -105.7 129.04 54.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 57.2 mt -128.85 113.84 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.505 ' CZ ' HD23 ' A' ' 148' ' ' LEU . 6.5 t80 -109.04 145.61 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.3 mt -115.76 128.66 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 89.8 m -156.46 139.11 10.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.74 150.17 67.98 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 71.2 m -134.51 -52.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 155.1 -81.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 167' ' ' SER . 53.5 Cg_endo -69.79 -6.83 19.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 166' ' ' PRO . 11.8 m -37.88 152.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 44.4 t -154.34 128.33 8.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -49.74 -51.22 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t -54.54 110.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 160.95 41.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.6 t -124.03 153.47 41.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -85.98 108.84 18.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.0 48.89 4.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 130' ' ' LEU . 16.2 t80 -63.3 -35.37 80.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.393 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.48 -47.79 62.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -64.2 -46.22 84.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.82 -34.72 77.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CE1' HD11 ' A' ' 113' ' ' ILE . 6.8 t80 -63.66 -46.99 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.17 -41.52 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -53.45 -28.54 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -75.99 -33.8 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.528 HD11 ' CE1' ' A' ' 109' ' ' PHE . 88.6 mt -64.77 -42.75 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -50.2 67.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -72.07 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 3.5 t -70.01 106.26 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -59.43 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.98 114.98 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 11.8 t -117.18 130.78 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.406 ' CD1' ' HD3' ' A' ' 157' ' ' LYS . 23.4 tp -98.98 143.32 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.54 -42.02 87.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.01 -42.95 93.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.0 -35.23 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.4 -43.16 99.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.16 -44.85 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.4 t80 -69.76 -38.97 76.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -56.62 -44.83 81.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 33.2 mtt -96.7 -16.48 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 95.61 -28.25 12.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 105' ' ' PHE . 84.0 mt -51.67 147.37 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -56.86 153.02 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.6 m -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.94 -46.45 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.1 -44.22 87.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 139' ' ' ILE . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.65 -43.2 98.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.1 -32.57 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.3 -46.92 84.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -70.0 -42.89 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.07 -40.87 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.91 -45.21 82.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.84 -42.14 97.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -31.74 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.9 m -71.77 -46.57 57.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.24 -18.43 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.35 37.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -40.55 -32.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CZ ' ' A' ' 160' ' ' TYR . 28.1 mt -137.83 155.75 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 60.9 m -129.37 122.05 28.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -160.69 174.93 37.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.42 147.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.48 132.39 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.62 172.92 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.75 -7.66 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -98.72 21.9 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.66 43.69 8.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.406 ' HD3' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -107.22 153.07 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.943 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -107.48 122.18 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.37 115.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.505 ' CZ ' HD23 ' A' ' 148' ' ' LEU . 9.6 t80 -107.84 134.47 50.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 44.3 mt -100.25 114.68 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 98.6 m -135.4 138.99 30.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.5 m -61.0 137.98 58.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -132.31 -94.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 11.7 t -84.41 92.53 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -77.77 153.22 33.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -51.66 127.12 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.6 p -121.74 166.1 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.78 13.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m -92.0 57.69 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -97.27 83.89 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.78 -37.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.98 -45.07 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.396 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.23 -44.78 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -46.07 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -63.77 -36.42 83.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.545 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 12.9 t80 -68.07 -46.64 70.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.11 -44.25 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -56.91 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.81 -35.83 77.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 63.7 mt -67.54 -41.11 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.74 -50.06 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -71.84 -42.14 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 m -69.93 109.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.75 -44.13 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.4 t -127.48 117.75 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.05 123.98 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.26 142.96 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 136' ' ' ILE . 18.4 mt -61.94 -40.41 95.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.01 -42.85 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.11 -39.89 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.79 -38.87 89.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.01 -46.32 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -69.97 -43.81 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -56.14 -46.75 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 52.5 mtt -94.97 -9.49 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 86.87 -34.23 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.1 mt -48.75 153.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 161.83 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.6 m -64.96 -48.1 75.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -66.83 -43.98 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.95 -48.58 81.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 139' ' ' ILE . . . -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 121' ' ' LEU . 58.3 mt -61.47 -42.62 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -57.45 -32.15 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -63.93 -47.35 80.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -67.79 -48.24 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.05 -37.77 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -42.11 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.17 -43.57 73.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 mt -64.11 -32.39 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.6 m -68.67 -46.4 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.24 -17.87 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.22 -18.52 48.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 24.4 m -42.18 -26.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 160' ' ' TYR . 28.4 mt -144.57 152.09 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.8 t -124.88 127.88 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.49 43.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.78 147.91 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.8 mt -114.47 133.08 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.57 171.62 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.22 -8.61 8.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -101.41 22.98 11.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 51.33 25.12 11.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 158' ' ' PHE . 1.5 tmtp? -86.56 142.05 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.425 ' N ' ' HD3' ' A' ' 157' ' ' LYS . 30.6 t80 -104.46 122.41 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 26.5 mt -120.01 113.51 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.558 ' CE1' HD21 ' A' ' 148' ' ' LEU . 11.4 t80 -107.31 146.75 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 35.1 mt -121.29 101.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 82.4 m -98.08 139.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.4 Cg_endo -69.8 115.8 4.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 14.3 m -163.45 153.33 15.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 47.04 -158.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 168' ' ' SER . 85.6 p -83.97 -32.02 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 167' ' ' SER . 88.4 p 37.12 41.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -81.45 165.56 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -100.53 146.12 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.53 -152.46 8.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.1 t -93.04 142.87 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -70.47 -38.26 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.11 -37.08 9.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -55.54 -34.44 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -64.45 -46.29 83.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.77 -34.75 77.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 29.8 t80 -67.93 -43.62 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.17 -46.78 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -53.82 -44.41 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -61.64 -43.19 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.448 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 55.7 mt -62.72 -37.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' A' ' 160' ' ' TYR . 32.8 mmtt -65.36 -50.22 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -66.75 -42.55 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 119' ' ' VAL . 36.2 p -70.2 114.27 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -61.66 -60.4 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.22 113.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 116' ' ' SER . 13.5 t -117.42 133.22 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -95.8 135.9 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.66 -42.27 96.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 120' ' ' LEU . 17.3 mt-10 -65.0 -36.01 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -74.98 -35.18 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 139' ' ' ILE . 41.9 tp -62.16 -39.85 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.27 -46.43 88.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.6 t80 -70.01 -46.95 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -56.0 -46.25 78.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 mtt -96.95 -1.42 45.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.53 -44.46 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.6 mt -41.83 154.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -71.34 151.8 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.2 m -55.2 -47.69 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -66.43 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.67 -49.01 79.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.83 92.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.15 -42.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -55.91 -42.69 76.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -41.95 75.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 124' ' ' LEU . 38.0 mt -62.93 -41.93 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.2 -41.24 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.27 -42.69 96.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.67 -35.52 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.97 -31.71 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 86.3 m -67.21 -42.18 84.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.33 -18.33 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 106.87 -22.58 29.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.8 m -40.12 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 160' ' ' TYR . 32.6 mt -145.89 139.07 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 89.9 m -123.63 121.94 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.99 43.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.56 153.88 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 49.6 mt -126.55 119.43 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.79 176.86 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.55 2.41 19.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -91.28 20.33 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.18 39.5 34.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 158' ' ' PHE . 4.8 tppt? -120.92 147.04 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.452 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 46.6 t80 -104.46 122.05 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.22 113.03 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 148' ' ' LEU . 28.8 t80 -97.5 128.44 44.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 46.9 mt -114.24 110.33 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -108.09 141.17 22.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 137.87 36.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.5 m 57.82 31.71 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -106.65 -94.98 2.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -2.34 10.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.1 t -42.28 124.26 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 19.7 m -45.84 130.77 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.0 t -109.06 128.38 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.6 t -141.67 111.97 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 57.17 52.74 49.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.537 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 t -106.64 170.44 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.4 m -40.79 146.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.815 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.63 -61.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -63.57 -37.21 86.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.37 -47.71 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -63.83 -46.27 85.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.87 -36.16 79.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 52.8 t80 -64.76 -42.45 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 50.7 mt -69.27 -52.51 32.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -55.67 -35.52 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -68.31 -41.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -62.61 -36.07 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.452 ' CE ' HD22 ' A' ' 148' ' ' LEU . 1.8 mptm? -63.81 -48.74 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -64.55 -42.57 95.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.448 ' OG ' ' CG2' ' A' ' 119' ' ' VAL . 12.1 p -70.33 102.88 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -48.64 -55.73 10.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 81.3 t -125.82 117.25 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.448 ' CG2' ' OG ' ' A' ' 116' ' ' SER . 16.0 t -116.97 131.77 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.97 141.28 31.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.23 -42.1 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.12 -43.06 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.45 -37.33 71.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -60.25 -39.16 85.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.0 -46.96 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -69.08 -44.66 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 127' ' ' GLN . 1.4 tm0? -55.69 -45.43 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.5 mtt -95.74 -4.29 44.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.29 -42.94 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt -42.32 162.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -78.47 159.58 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.3 m -55.34 -45.5 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -68.98 -38.32 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.27 -48.94 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.03 -41.98 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -56.03 -44.39 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -63.76 -45.37 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.1 -43.17 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -56.62 -36.06 69.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -68.27 -35.31 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 148' ' ' LEU . 71.7 mt -70.75 -46.4 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 143' ' ' LEU . 2.2 mm? -63.97 -34.75 78.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.88 -46.41 78.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.02 -16.76 61.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.89 -15.41 61.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 87.0 m -41.1 -32.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 142' ' ' LEU . 35.8 mt -133.72 151.43 51.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.9 t -133.11 127.23 33.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.42 43.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.18 139.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 65.9 mt -116.04 119.34 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.52 176.71 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.09 25.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.33 -16.26 14.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.84 41.31 5.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -127.86 158.92 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -109.63 126.34 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.0 mt -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.428 ' CE1' HD21 ' A' ' 148' ' ' LEU . 45.0 t80 -108.26 143.7 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 65.4 mt -128.2 150.58 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -161.85 141.18 7.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.59 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.3 t 57.48 29.89 17.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -149.09 177.16 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.7 t -51.01 124.53 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 73.0 m -135.11 137.31 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 m -102.81 105.92 16.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.3 t -60.99 -46.66 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.83 79.84 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.542 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -52.46 130.87 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 t -73.21 119.17 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.44 41.16 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -70.63 -34.13 71.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.32 -47.8 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.3 m -66.27 -46.34 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -67.74 -37.37 82.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 12.6 t80 -63.86 -44.78 92.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.56 -39.94 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -54.19 -44.41 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 116' ' ' SER . 4.1 t80 -62.72 -38.93 92.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 74.3 mt -67.08 -37.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -65.19 -50.39 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.3 pttt -72.29 -39.1 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.521 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 9.5 t -69.97 107.95 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.75 -48.63 74.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.99 118.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.12 126.74 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -98.47 144.01 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.59 -40.01 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.97 -43.03 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.99 -37.58 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.75 -44.07 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -61.08 -45.93 92.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -69.0 -41.81 77.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -58.96 -46.02 89.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.1 mtt -100.05 4.18 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 77.83 -47.05 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.1 mt -38.51 153.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.48 157.02 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.8 m -56.58 -47.82 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -67.68 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.07 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.02 -41.96 88.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -56.09 -43.8 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.33 83.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.57 -40.0 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -61.08 -40.2 92.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.55 -40.93 84.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.61 -43.03 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 148' ' ' LEU . 32.3 mt -63.94 -33.36 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.5 m -68.34 -44.62 74.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.37 -20.84 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.54 -27.22 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.1 m -36.0 -33.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 160' ' ' TYR . 27.7 mt -133.17 145.67 50.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 92.7 m -126.88 122.31 34.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.89 175.02 43.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.19 152.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.68 119.22 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 169.08 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.85 0.1 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -7.65 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.46 34.54 25.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -119.23 151.46 38.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -105.6 124.58 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.22 113.07 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.495 ' CE1' HD21 ' A' ' 148' ' ' LEU . 13.3 t80 -97.84 150.66 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 64.3 mt -113.75 84.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -110.78 141.16 23.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.72 40.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 21.0 t -55.27 170.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 116.92 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 13.9 t -41.62 -54.61 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 t -98.23 156.0 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.7 m -75.79 150.14 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.7 p -46.22 -61.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.86 167.48 54.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.1 p -94.55 79.44 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.818 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.5 p -79.23 121.47 25.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.33 -44.82 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -60.06 -34.73 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 78.8 mt -69.72 -47.38 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 -45.18 81.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.84 -34.17 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 113' ' ' ILE . 17.9 t80 -68.8 -48.55 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.02 -49.94 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.43 -39.9 64.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.8 -44.96 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.546 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 35.5 mt -63.22 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.91 -50.17 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -72.05 -42.17 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 m -69.95 113.91 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -58.51 -55.05 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.6 t -127.94 124.46 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.4 t -120.15 125.84 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.05 136.41 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.56 -42.32 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -74.96 -36.77 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.73 -44.84 96.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' CA ' ' A' ' 129' ' ' GLY . . . -65.98 -36.3 82.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 9.4 t80 -69.97 -50.0 46.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -65.07 -46.82 79.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.0 mtt -89.23 -1.45 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 125' ' ' ALA . . . 75.33 -47.57 2.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 125' ' ' ALA . 62.7 mt -36.83 153.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -69.71 155.64 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.6 m -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -63.52 -41.08 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -58.22 -47.24 84.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.95 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 53.7 mt -61.11 -46.81 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.34 -39.73 76.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -63.49 -47.45 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 158' ' ' PHE . 39.1 mt -63.64 -47.68 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.46 -38.8 72.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.39 -46.95 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.39 -36.03 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.4 m -68.25 -43.15 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.51 -18.9 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.89 -26.23 24.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 47.8 m -38.44 -34.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.513 HD23 ' CZ ' ' A' ' 160' ' ' TYR . 29.4 mt -135.17 155.07 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.4 p -128.86 123.5 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.98 172.66 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.49 151.9 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 89.1 mt -123.43 125.97 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.5 175.73 7.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.06 -18.73 65.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -86.29 -2.14 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 70.97 31.58 66.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -88.92 147.32 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.552 ' CZ ' HG23 ' A' ' 139' ' ' ILE . 6.0 t80 -104.26 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 48.7 mt -133.09 113.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.513 ' CZ ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -101.83 136.52 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 20.0 mt -114.72 79.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 84.5 m -71.0 139.25 85.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 54.0 Cg_endo -69.8 102.99 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 165' ' ' GLY . 67.0 p -155.68 154.17 31.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 164' ' ' SER . . . -36.84 153.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 101.8 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 59.4 p -134.62 135.82 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 20.3 m -92.15 -53.47 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.532 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 94.9 p 38.61 41.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 m -115.32 113.71 24.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.814 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.47 170.0 3.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.5 p -98.52 95.23 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.9 p -119.15 174.28 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.19 -38.22 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -41.69 97.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.24 -43.22 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.0 m -66.36 -46.44 76.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -38.69 83.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -66.04 -48.79 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.55 -46.01 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -55.32 -36.52 66.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.86 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 109' ' ' PHE . 67.3 mt -67.25 -40.76 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -53.85 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -72.14 -42.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.2 m -70.01 101.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.63 -44.91 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.3 119.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.01 133.06 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -98.6 137.73 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.8 mt -68.02 -42.04 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.0 -43.09 93.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.09 -38.78 61.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 15.4 tp -62.18 -39.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -46.95 88.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.93 -42.36 73.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.433 ' C ' ' CD ' ' A' ' 127' ' ' GLN . 1.8 tm0? -55.81 -47.01 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.2 mtt -95.2 -5.04 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 83.44 -37.33 2.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.9 mt -45.03 161.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -76.27 153.31 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.1 m -57.17 -43.53 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.419 ' HG3' ' ND2' ' A' ' 137' ' ' ASN . 17.5 tp60 -68.83 -44.85 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.55 -49.03 78.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.48 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -50.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 133' ' ' GLN . 84.4 m-20 -61.29 -36.87 81.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -68.56 -37.29 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.56 -49.08 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.417 ' NE2' HD12 ' A' ' 152' ' ' ILE . 12.9 mm-40 -55.44 -34.37 64.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.29 -32.76 73.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.95 -36.54 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.94 -33.21 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.7 m -66.91 -38.44 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -80.73 10.56 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.68 20.26 69.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.9 m -80.12 -38.07 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 160' ' ' TYR . 54.1 mt -134.19 147.27 50.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.0 m -126.07 121.96 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -169.01 174.81 43.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.86 144.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.417 HD12 ' NE2' ' A' ' 140' ' ' GLN . 71.2 mt -110.87 115.6 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -76.33 177.74 7.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.16 13.62 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -95.54 -0.35 52.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.49 43.42 86.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -130.6 161.2 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -104.06 122.0 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.05 113.41 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.567 ' CE1' HD21 ' A' ' 148' ' ' LEU . 72.4 t80 -110.95 137.33 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.02 120.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -131.21 141.13 40.76 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.581 0.705 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 177.08 5.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.4 m 48.94 32.13 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -76.71 146.26 32.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.68 8.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.1 t -47.08 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.7 t -109.82 138.63 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.9 m -94.87 139.82 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -124.22 153.57 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.31 81.64 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -103.23 -58.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -57.65 127.01 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.05 -52.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' HD12 ' A' ' 130' ' ' LEU . 20.1 t80 -55.16 -43.5 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.04 -46.93 82.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.2 m -62.21 -46.24 89.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.28 -40.46 86.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.486 ' CE1' HD12 ' A' ' 113' ' ' ILE . 5.0 t80 -65.69 -42.05 91.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.93 -44.68 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.5 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -66.6 -35.11 79.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD12 ' CE1' ' A' ' 109' ' ' PHE . 56.6 mt -68.19 -45.03 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -54.33 -50.1 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -72.14 -41.96 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.1 m -69.89 97.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -43.89 -49.61 8.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.2 t -128.01 135.34 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.57 126.02 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.28 143.95 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -36.42 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.99 -37.79 86.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.97 -46.86 76.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.9 t80 -70.01 -39.71 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.09 -46.92 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.5 mtt -103.4 -1.89 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.37 -36.42 2.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.466 HD12 ' CZ ' ' A' ' 105' ' ' PHE . 44.5 mt -40.59 153.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -64.75 151.51 45.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.0 m -56.47 -48.83 76.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.73 -39.0 90.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.42 -48.87 79.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.67 -42.42 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.89 -38.77 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -66.55 -39.8 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.53 -48.48 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.21 -38.54 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -68.62 -46.53 69.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.45 -36.71 85.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 148' ' ' LEU . 38.4 mt -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.9 m -69.43 -40.07 77.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -74.52 -20.52 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.8 -18.83 45.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.2 m -45.09 -27.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 160' ' ' TYR . 23.1 mt -139.59 143.8 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 34.5 m -116.97 122.38 44.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.14 174.55 42.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.74 149.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.84 129.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -94.23 176.41 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.88 0.1 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -105.08 23.8 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.01 42.75 6.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -109.28 148.71 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -106.66 123.81 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.0 mt -121.64 115.5 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.526 ' CE1' HD21 ' A' ' 148' ' ' LEU . 6.7 t80 -108.94 141.19 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 54.5 mt -118.61 100.86 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 1.6 m -109.09 136.66 20.07 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.7 Cg_endo -69.83 118.87 5.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.7 m -157.78 138.67 13.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.05 -158.15 32.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 171.41 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 89.6 p -49.59 160.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 49.1 m -161.04 137.7 8.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 t -90.7 158.76 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -50.87 -52.97 36.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.22 -112.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t 38.67 37.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -87.54 -63.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.49 52.02 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.64 -35.49 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.27 -45.85 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.0 m -58.82 -46.38 87.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 12.5 pt-20 -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 26.6 t80 -64.1 -46.52 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.12 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -53.45 -41.59 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.96 -37.62 86.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.5 mt -68.06 -39.13 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.96 -50.19 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -72.21 -42.26 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -70.07 103.08 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -60.77 -35.54 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 94.9 t -128.05 112.27 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.1 t -117.79 124.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.97 142.22 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.07 -41.98 81.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.99 -42.36 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.28 -40.44 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.4 tp -56.13 -41.65 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -44.66 97.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.52 -46.28 80.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 36.6 mtt -101.98 -6.79 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 88.96 -37.82 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.8 mt -38.32 152.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -65.15 153.93 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.1 m -55.52 -47.08 76.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -68.95 -43.26 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.09 -47.89 83.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.444 ' O ' ' CD1' ' A' ' 139' ' ' ILE . . . -61.83 -45.73 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.1 mt -60.89 -42.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -55.91 -33.72 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -63.7 -47.68 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 135' ' ' ALA . 5.4 mp -67.58 -42.36 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -56.06 -40.91 74.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -68.81 -41.21 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.36 -46.53 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 148' ' ' LEU . 32.0 mt -64.79 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.8 m -68.04 -39.32 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.36 -20.17 59.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 106.47 -28.71 12.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.3 m -36.02 -36.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.336 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.46 ' CB ' HD21 ' A' ' 143' ' ' LEU . 33.4 mt -133.34 156.25 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.6 p -132.66 122.97 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.37 174.8 38.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.2 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 80.2 mt -123.67 134.89 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -99.42 173.56 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -56.46 -14.69 3.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -94.67 23.95 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 45.27 28.4 2.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -87.92 140.46 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -107.58 122.53 46.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 56.2 mt -117.56 116.51 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -104.87 120.04 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.4 mt -78.73 115.59 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -167.95 141.16 2.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.566 0.698 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 108.79 2.15 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.5 m -103.26 104.68 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -40.97 -83.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.5 t 42.49 40.84 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.7 t -109.7 87.34 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.455 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.7 p -105.53 167.1 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.6 m -132.6 103.19 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.68 -156.25 8.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -64.34 -44.45 91.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -75.7 130.88 39.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 168.35 -46.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.1 -33.15 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.08 -46.68 67.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -65.21 -45.88 82.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.29 -34.08 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 4.0 t80 -68.03 -48.51 65.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.75 -39.02 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -54.95 -33.65 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -65.5 -46.23 80.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 59.7 mt -66.86 -43.66 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.95 -47.61 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -71.05 -42.19 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -70.12 -174.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -125.96 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.47 110.63 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.99 125.84 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.95 144.1 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.85 -42.17 75.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.96 -42.98 94.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.58 -40.02 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.38 -43.44 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.58 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.082 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 3.8 t80 -68.19 -42.42 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.04 -46.34 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.0 mtt -91.71 -3.98 55.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.83 -38.46 3.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.9 mt -45.88 159.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -75.1 158.28 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.3 m -62.36 -46.72 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.94 -37.4 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -48.95 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.05 98.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.01 -42.15 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -56.93 -43.92 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -45.36 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.17 -45.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -56.0 -39.32 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.42 -35.51 81.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.58 -50.09 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 143' ' ' LEU . 4.1 mm? -64.07 -31.91 73.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 36.8 m -69.46 -47.55 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.63 -20.19 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.6 -22.34 30.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.9 m -38.29 -35.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 160' ' ' TYR . 44.9 mt -134.25 151.49 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 69.2 p -128.7 122.3 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.38 175.0 43.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.38 158.45 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 92.0 mt -126.48 133.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -102.87 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -49.53 -22.55 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -89.09 21.98 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.28 36.23 2.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.36 144.23 26.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -103.93 135.72 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.26 114.34 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 148' ' ' LEU . 15.7 t80 -105.81 133.15 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.96 108.57 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -133.72 141.15 38.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.533 0.683 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 9.0 t -101.67 -47.54 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 156.06 -87.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.35 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 67.9 m -96.92 162.34 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 44.2 p -143.4 151.11 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.7 p -158.51 134.39 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 m -103.18 137.09 41.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.19 -107.37 2.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.9 t -57.7 145.02 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.8 t -127.12 -50.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.17 -38.25 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.54 -39.05 86.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.24 -47.02 81.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.2 m -65.91 -44.6 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.27 -33.36 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 21.6 t80 -66.48 -44.48 82.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.8 -46.21 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -55.87 -39.56 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -64.79 -39.85 94.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 70.9 mt -64.91 -37.6 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -58.11 -50.14 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -72.07 -41.92 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -69.99 111.64 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 118' ' ' VAL . 14.9 ptpt -67.89 -41.44 82.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 90.2 t -127.98 114.82 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.1 t -117.12 126.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 157' ' ' LYS . 51.4 tp -98.21 134.57 41.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.92 -41.82 92.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.27 -42.94 99.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.85 -30.91 61.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.03 -46.81 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.51 -41.5 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -69.93 -43.8 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.99 -45.87 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.9 mtt -94.35 -5.16 47.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.71 -42.61 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 61.7 mt -39.24 150.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -60.68 160.62 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.5 m -62.42 -48.93 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -67.42 -38.53 84.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -47.73 84.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.45 93.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.19 -42.32 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -56.89 -32.28 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 138' ' ' ARG . 3.9 mmm180 -65.22 -48.97 71.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.9 mp -63.45 -38.88 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -55.98 -43.27 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.4 -34.64 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.8 -48.81 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 143' ' ' LEU . 3.0 mm? -65.74 -32.62 74.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 96.1 m -71.52 -40.93 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -78.45 -20.88 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.16 -22.92 33.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 88.0 m -38.5 -39.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.164 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.565 HD23 ' CE1' ' A' ' 160' ' ' TYR . 20.2 mt -130.09 150.99 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.9 m -128.84 126.84 40.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -166.55 174.92 42.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.4 m -127.28 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 64.0 mt -112.61 133.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -97.34 170.99 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -12.41 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -93.47 23.46 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.67 35.76 4.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.429 ' CD ' HD12 ' A' ' 120' ' ' LEU . 20.8 mmmt -100.07 145.99 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.54 122.85 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.0 114.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.565 ' CE1' HD23 ' A' ' 148' ' ' LEU . 71.2 t80 -104.87 138.9 40.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 162' ' ' THR . 39.7 mt -98.51 142.51 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.446 ' N ' HG23 ' A' ' 161' ' ' ILE . 1.3 t -166.51 141.15 3.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.66 3.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.0 m -40.0 119.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -118.93 -159.45 11.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.36 3.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 168' ' ' SER . 28.8 m -41.32 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 167' ' ' SER . 26.8 m -35.15 138.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.6 p 43.96 41.98 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.7 p -105.76 43.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.9 93.56 1.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 p -44.91 -30.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -173.29 112.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.21 55.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.434 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.02 -47.73 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -66.34 -46.31 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.68 -33.08 74.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.474 ' CE2' HD13 ' A' ' 113' ' ' ILE . 50.5 t80 -64.34 -43.5 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.27 -38.09 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -53.03 -27.82 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.6 -43.7 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.474 HD13 ' CE2' ' A' ' 109' ' ' PHE . 23.8 mt -68.41 -45.58 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -54.03 -50.17 67.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.19 -42.13 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -70.08 116.38 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.41 -52.52 64.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -127.38 117.46 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.36 134.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.9 tp -98.71 141.13 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.4 mt -64.1 -42.02 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.96 -43.01 94.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.01 -34.9 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 139' ' ' ILE . 61.6 tp -60.36 -37.52 80.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.71 -46.97 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -69.48 -39.78 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.3 -46.71 72.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.4 mtt -99.05 -6.96 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.16 -36.03 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 mt -42.45 165.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -77.54 155.8 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.0 m -56.73 -48.03 78.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -67.87 -40.84 83.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.95 -47.41 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.51 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 50.0 mt -60.47 -42.03 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.95 -40.26 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -66.12 -47.36 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.457 HD13 ' CD2' ' A' ' 124' ' ' LEU . 44.3 mt -62.72 -46.96 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -57.06 -40.32 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.8 -45.2 83.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.61 -45.13 84.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 158' ' ' PHE . 25.6 mt -64.73 -36.3 83.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.0 m -62.09 -45.83 91.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.04 -19.07 62.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.36 -15.68 42.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.8 m -42.48 -29.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 160' ' ' TYR . 55.3 mt -142.52 157.6 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 37.5 p -133.8 122.94 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.88 172.2 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.87 151.68 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.3 mt -110.57 132.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.43 174.04 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.55 -9.75 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -97.9 19.44 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.67 28.07 14.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -93.29 144.06 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 143' ' ' LEU . 16.6 t80 -105.86 122.61 46.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.2 mt -113.02 119.03 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 148' ' ' LEU . 74.4 t80 -107.73 124.39 49.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.0 mt -97.59 97.71 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 82.9 m -76.4 139.22 67.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.4 Cg_endo -69.81 148.0 63.79 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.1 p -114.12 -36.52 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 103.09 -158.85 17.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 15.4 t -164.31 154.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 89.0 p -120.53 143.74 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.02 -46.94 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 m -65.57 -46.11 80.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.62 -36.12 80.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 5.4 t80 -64.51 -40.64 96.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.447 ' HA ' HD12 ' A' ' 113' ' ' ILE . 76.7 mt -68.33 -45.04 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -59.4 -35.28 73.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.707 ' HE2' HE22 ' A' ' 127' ' ' GLN . 34.3 t80 -66.21 -37.96 86.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.632 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 mt -65.69 -44.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.6 mptm? -55.22 -49.93 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -69.34 -42.06 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.7 m -69.99 116.13 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -63.34 -54.94 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.8 t -121.43 117.84 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.84 126.16 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 tp -98.43 143.9 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.8 mt -65.56 -41.93 92.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -64.98 -42.85 94.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.6 -34.92 65.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD2' HD11 ' A' ' 139' ' ' ILE . 33.8 tp -56.7 -46.85 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.95 -35.61 81.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.21 -49.71 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.707 HE22 ' HE2' ' A' ' 112' ' ' TYR . 15.5 pt20 -64.85 -42.86 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.476 ' N ' ' HG3' ' A' ' 127' ' ' GLN . 11.0 mtt -86.49 -5.98 59.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.42 -39.88 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.654 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 29.9 mt -46.3 171.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -86.28 155.75 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 136' ' ' ILE . 93.8 m -55.97 -48.98 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.76 -43.65 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.67 -47.54 84.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.44 93.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.489 ' CD1' HG22 ' A' ' 132' ' ' THR . 62.9 mt -61.07 -43.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.34 -41.14 75.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -67.54 -41.3 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 143' ' ' LEU . 21.9 mt -66.61 -45.15 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.5 -39.76 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -45.95 80.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.1 -38.18 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 148' ' ' LEU . 56.2 mt -71.01 -30.99 67.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 73.0 m -68.24 -41.87 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -74.79 -15.13 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.26 -21.58 42.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 42.6 m -40.94 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 143' ' ' LEU . 34.8 mt -139.93 147.24 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 74.9 p -121.76 122.97 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.68 39.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.38 151.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.07 134.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -97.11 176.65 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -10.62 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -97.61 21.56 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLY . . . . . 0.824 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 43.37 40.0 4.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HD2' HD11 ' A' ' 159' ' ' ILE . 12.6 ptpt -102.01 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.51 ' CE1' HD11 ' A' ' 143' ' ' LEU . 14.8 t80 -106.08 124.2 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.665 HD11 ' HD2' ' A' ' 157' ' ' LYS . 47.7 mt -123.0 115.63 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.609 ' OH ' HD23 ' A' ' 148' ' ' LEU . 5.2 t80 -101.79 131.55 48.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.01 -47.04 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 m -61.78 -46.22 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.81 -34.01 75.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 14.3 t80 -69.31 -40.76 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.56 HG23 HD21 ' A' ' 148' ' ' LEU . 76.7 mt -69.31 -45.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -53.5 -41.95 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.32 -39.14 93.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.633 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 53.8 mt -68.32 -37.92 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -57.17 -50.23 73.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -72.04 -42.26 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 m -70.01 114.62 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -67.49 -46.13 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -127.87 115.51 39.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.0 137.36 51.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 mp -98.94 141.84 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.99 -41.81 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.98 -42.93 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.61 -39.27 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.549 HD11 ' HE1' ' A' ' 109' ' ' PHE . 23.8 tp -56.75 -41.13 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.68 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.93 -43.16 99.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.85 -43.22 75.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -54.0 -46.58 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.4 mtt -98.37 -5.22 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.81 -41.82 3.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.68 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 23.0 mt -41.69 156.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -72.74 158.02 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.9 m -57.31 -47.09 82.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -65.43 -36.74 84.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -61.47 -44.87 96.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.29 -42.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -56.14 -43.74 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -64.62 -41.19 96.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.85 -42.53 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.37 -40.33 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -45.61 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.05 -41.3 91.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 148' ' ' LEU . 45.9 mt -64.49 -33.39 75.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.9 m -68.54 -40.14 80.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.89 -20.51 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.51 -27.19 19.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 146' ' ' GLY . 90.8 m -36.22 -34.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 143' ' ' LEU . 43.7 mt -135.58 139.29 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 82.0 p -114.52 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.36 172.68 42.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.58 158.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.301 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.95 128.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 176.58 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 154' ' ' ASP . 1.1 t70 -70.94 -1.77 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -98.13 -4.17 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 73.95 27.99 65.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -94.64 155.61 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.7 125.73 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.11 113.9 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.615 ' OH ' HD23 ' A' ' 148' ' ' LEU . 17.9 t80 -109.01 143.82 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.769 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.1 mp -68.26 -47.78 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.3 m -64.27 -46.32 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -65.79 -36.45 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 13.0 t80 -67.14 -48.74 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.34 -47.74 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -53.62 -44.4 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -61.62 -37.85 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 81.5 mt -65.27 -42.73 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -57.79 -49.27 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -71.92 -42.13 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.5 m -70.0 100.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.09 -47.79 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.96 116.95 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.44 130.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.74 140.04 32.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.4 mt -64.96 -41.94 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -64.97 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -72.72 -32.71 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 109' ' ' PHE . 27.1 tp -62.23 -37.28 84.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.06 -46.97 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -70.04 -40.09 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.03 -47.01 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 41.8 mtt -103.13 -1.9 28.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 85.73 -43.4 3.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.485 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 32.2 mt -37.94 143.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 131' ' ' ARG . 2.4 mpt_? -62.38 157.92 18.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.6 m -59.02 -41.76 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -68.22 -41.13 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.0 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.76 -43.79 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -57.64 -44.29 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.07 -43.22 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.58 -37.08 70.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.96 -35.07 79.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.803 HD13 HD12 ' A' ' 148' ' ' LEU . 83.4 mt -69.23 -42.05 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 148' ' ' LEU . 2.4 mm? -71.96 -31.91 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 71.7 m -69.33 -40.86 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -77.66 -19.68 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.88 45.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.6 m -40.15 -40.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 142' ' ' LEU . 46.0 mt -127.15 139.01 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.7 p -115.57 124.54 51.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.48 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.73 145.17 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.82 133.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.34 172.24 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -58.66 -22.92 58.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -84.4 -11.32 56.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 79.66 38.64 19.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.69 146.12 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -104.25 122.36 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.85 113.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.604 ' CE1' HD22 ' A' ' 148' ' ' LEU . 21.7 t80 -95.47 123.58 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 mt -70.17 -47.82 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 79.8 m -64.99 -46.31 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.85 -33.43 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -70.12 -46.46 64.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.3 mt -66.22 -42.15 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.05 -44.47 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.73 -37.46 84.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 61.3 mt -66.95 -37.42 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -64.06 -50.14 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.9 ptpt -71.76 -42.22 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 118' ' ' VAL . 58.8 m -70.01 74.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -34.88 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' SER . 49.1 t -128.03 119.01 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.58 124.13 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.08 138.8 34.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 136' ' ' ILE . 12.7 mt -67.84 -41.98 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -64.98 -42.89 94.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -40.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.504 HD21 ' HE1' ' A' ' 109' ' ' PHE . 41.1 tp -56.06 -41.01 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -59.96 -46.45 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.87 -40.73 75.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -54.36 -46.97 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 34.0 mtt -105.05 5.17 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.27 -43.87 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.2 mt -37.44 155.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.29 152.87 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.9 m -55.11 -45.42 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.47 -43.16 77.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.452 ' HA ' ' ND2' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -58.06 -45.13 87.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.06 95.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 91.0 mt -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 134' ' ' ASP . 2.3 m-20 -55.98 -41.53 74.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -66.85 -48.41 68.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 mt -61.66 -42.29 93.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -58.61 -40.36 83.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -43.15 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.15 -40.09 90.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 148' ' ' LEU . 55.8 mt -69.27 -36.57 77.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.3 m -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.35 -20.06 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.48 -25.72 23.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.4 m -41.65 -27.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 160' ' ' TYR . 73.4 mt -141.83 151.29 42.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.2 t -134.48 126.9 30.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.82 174.64 43.42 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.58 152.4 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.51 119.24 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.02 173.8 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -77.12 7.41 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -92.28 9.84 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 59.43 39.86 95.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -126.71 155.23 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -105.98 130.56 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.97 114.07 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.619 ' CE1' HD22 ' A' ' 148' ' ' LEU . 41.5 t80 -96.45 143.36 27.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 130' ' ' LEU . 3.1 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.04 -47.84 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m -66.29 -46.3 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.85 -35.2 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.0 t80 -64.22 -45.16 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 96.8 mt -65.53 -44.88 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 76.7 mt -67.34 -45.13 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.2 mptm? -54.65 -50.17 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -72.09 -42.15 66.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.7 m -70.0 107.34 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.87 -45.82 92.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.7 115.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.08 124.48 73.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.35 141.66 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.764 HD22 HG12 ' A' ' 136' ' ' ILE . 19.2 mt -67.86 -41.98 82.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.99 -43.04 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -74.95 -33.78 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.77 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.27 -45.3 85.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.63 -49.97 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -55.79 -45.28 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 mtt -90.63 -7.82 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.19 -38.99 2.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE1' ' A' ' 105' ' ' PHE . 47.1 mt -44.54 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -71.37 159.58 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.1 m -60.86 -47.11 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -68.99 -47.2 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.1 -44.83 87.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.4 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.764 HG12 HD22 ' A' ' 121' ' ' LEU . 77.5 mt -60.26 -42.01 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -56.08 -32.04 63.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -60.54 -45.77 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 158' ' ' PHE . 4.1 mp -69.59 -47.36 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.87 -41.25 95.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.67 -43.46 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.37 -36.84 82.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 148' ' ' LEU . 33.2 mt -67.35 -35.54 79.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.9 m -66.53 -42.21 87.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.69 -14.14 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 96.02 -23.09 36.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 146' ' ' GLY . 35.1 m -35.32 -43.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 143' ' ' LEU . 37.9 mt -128.23 150.31 50.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.5 m -126.15 123.22 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -159.62 173.96 36.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.57 140.42 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 157' ' ' LYS . 62.1 mt -121.87 126.38 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -79.44 177.92 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.67 28.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -106.37 -15.98 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.26 41.4 6.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 152' ' ' ILE . 32.3 ttmt -130.9 157.06 43.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE1' HG21 ' A' ' 139' ' ' ILE . 16.3 t80 -104.9 124.31 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 76.5 mt -126.3 113.8 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.418 ' CE1' HD22 ' A' ' 148' ' ' LEU . 39.0 t80 -102.95 133.61 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.0 -47.53 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 111' ' ' ASN . 31.9 m -66.2 -46.26 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.76 -35.97 81.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.604 ' HE1' HD11 ' A' ' 124' ' ' LEU . 23.9 t80 -69.49 -45.04 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.44 -42.34 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 107' ' ' THR . 60.7 m-20 -62.82 -32.34 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.86 -34.0 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.419 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 94.7 mt -65.14 -47.15 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -71.38 -42.13 68.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG22 ' A' ' 119' ' ' VAL . 19.3 m -69.93 94.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -45.0 -59.5 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.6 t -119.24 117.98 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 124' ' ' LEU . 58.7 t -117.03 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.61 142.81 26.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 156' ' ' GLY . 14.5 mt -63.17 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.77 -42.77 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -31.53 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.604 HD11 ' HE1' ' A' ' 109' ' ' PHE . 28.2 tp -62.79 -46.68 86.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -69.63 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -55.78 -46.38 77.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.6 mtt -99.22 -4.56 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.39 -43.0 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 30.0 mt -40.94 151.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -66.15 157.18 31.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 21.8 m -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.68 -45.82 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.1 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.513 HG12 HD22 ' A' ' 121' ' ' LEU . 67.3 mt -61.73 -42.08 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -56.05 -40.07 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -62.46 -46.51 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 124' ' ' LEU . 50.3 mt -61.44 -44.69 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.24 -36.85 68.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 145' ' ' GLU . 5.1 m-20 -68.14 -37.38 81.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.509 HD13 HD12 ' A' ' 148' ' ' LEU . 66.3 mt -69.96 -49.02 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 139' ' ' ILE . 4.0 mm? -64.08 -39.28 93.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -41.63 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 8.3 mm-40 -73.36 -17.34 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.15 63.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 m -55.77 -34.27 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 160' ' ' TYR . 40.4 mt -134.35 163.23 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.1 p -134.16 125.87 28.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.54 175.0 39.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.64 148.94 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 94.0 mt -117.75 134.23 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.84 172.03 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.09 -17.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -92.5 18.47 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLY . . . . . 0.57 ' O ' HD11 ' A' ' 121' ' ' LEU . . . 44.16 37.4 4.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 158' ' ' PHE . 3.1 ttmp? -96.19 147.47 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 157' ' ' LYS . 42.4 t80 -110.46 127.7 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.89 115.73 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.68 ' CE1' HD22 ' A' ' 148' ' ' LEU . 49.7 t80 -100.91 122.83 44.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.9 -46.02 72.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.2 m -65.88 -46.22 79.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -37.51 82.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.615 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.7 t80 -64.2 -42.35 96.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 113' ' ' ILE . 80.6 mt -68.28 -40.84 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -54.4 -44.45 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 115' ' ' LYS . 51.5 t80 -61.7 -36.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -65.72 -41.08 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -60.12 -50.22 74.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 8.4 ptmm? -70.97 -42.04 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 4.1 t -69.92 115.01 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -65.52 -45.81 82.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.99 114.67 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 13.3 t -118.39 124.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.96 142.81 29.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 19.1 mt -63.91 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.99 -42.88 94.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.4 -38.67 63.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 135' ' ' ALA . 51.4 tp -57.81 -39.23 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.15 -46.55 88.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -70.0 -40.21 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -54.95 -46.97 75.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 55.9 mtt -100.01 -6.6 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.7 -37.53 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.412 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 72.5 mt -42.8 160.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -73.61 158.08 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.3 m -59.41 -47.9 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.11 -41.94 97.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 -45.45 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -65.31 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 56.0 mt -60.65 -45.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.28 -38.59 74.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -64.9 -48.66 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.69 -43.59 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.45 -41.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.59 -41.93 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.53 -37.89 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 148' ' ' LEU . 24.9 mt -70.23 -33.11 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.1 m -70.64 -42.76 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -69.8 -19.75 63.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.71 -23.41 31.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 55.9 m -37.9 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 143' ' ' LEU . 35.5 mt -127.05 150.71 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 53.9 m -125.75 122.36 36.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.69 39.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.4 147.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.46 133.67 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -99.28 171.73 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -11.25 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -90.3 21.0 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.57 51.86 6.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.532 ' NZ ' HD11 ' A' ' 159' ' ' ILE . 4.2 ptmm? -121.99 146.45 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.62 122.63 46.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.532 HD11 ' NZ ' ' A' ' 157' ' ' LYS . 45.3 mt -118.36 115.66 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.475 ' OH ' HD23 ' A' ' 148' ' ' LEU . 8.9 t80 -105.21 135.21 46.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 107' ' ' THR . 4.0 pp -62.62 -42.56 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 106' ' ' LEU . 69.7 m -66.23 -46.36 77.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.84 -33.21 74.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.2 t80 -66.73 -44.08 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.692 HG12 HD11 ' A' ' 148' ' ' LEU . 66.5 mt -66.74 -45.93 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -54.25 -42.45 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.93 -40.92 99.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.765 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 46.5 mt -66.0 -39.78 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -55.32 -50.25 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -72.09 -42.24 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -69.96 117.87 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.77 -55.71 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.45 120.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.8 125.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.94 143.97 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 132' ' ' THR . 24.6 mt -67.46 -35.34 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.0 -43.03 93.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.04 -36.97 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.07 -41.75 97.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.13 -46.99 86.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 6.3 t80 -68.8 -41.56 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.1 -46.99 84.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.6 mtt -98.27 -0.47 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 82.48 -43.01 2.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 22.4 mt -44.01 161.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.32 154.88 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 121' ' ' LEU . 38.7 m -57.16 -48.83 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.95 -45.09 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -45.73 87.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.83 98.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 121' ' ' LEU . 55.5 mt -60.07 -42.04 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.94 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 mt -60.84 -39.32 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.85 -41.98 92.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.81 -36.16 82.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 139' ' ' ILE . 48.8 mt -67.87 -41.31 83.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 148' ' ' LEU . 74.3 mt -70.34 -38.05 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.4 m -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.58 -18.4 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.75 -24.46 30.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.6 m -39.62 -34.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 111.198 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.692 HD11 HG12 ' A' ' 110' ' ' ILE . 39.7 mt -135.25 152.33 51.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' A' ' 160' ' ' TYR . 3.1 t -134.03 129.13 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.42 174.62 43.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.06 139.14 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 157' ' ' LYS . 68.0 mt -119.45 119.14 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.91 177.8 5.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.14 21.73 1.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -102.89 -15.52 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.32 39.93 7.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' ' 152' ' ' ILE . 0.7 OUTLIER -127.55 156.79 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -105.7 129.04 54.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 57.2 mt -128.85 113.84 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 149' ' ' THR . 6.5 t80 -109.04 145.61 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 16.2 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.924 0.393 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 106' ' ' LEU . 3.9 mp -69.48 -47.79 62.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -64.2 -46.22 84.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.82 -34.72 77.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 113' ' ' ILE . 6.8 t80 -63.66 -46.99 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.545 HG22 ' NZ ' ' A' ' 114' ' ' LYS . 33.5 mt -67.17 -41.52 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -53.45 -28.54 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -75.99 -33.8 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 109' ' ' PHE . 88.6 mt -64.77 -42.75 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.545 ' NZ ' HG22 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -53.96 -50.2 67.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -72.07 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 119' ' ' VAL . 3.5 t -70.01 106.26 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -59.43 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.98 114.98 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.548 HG22 ' OG ' ' A' ' 116' ' ' SER . 11.8 t -117.18 130.78 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.431 ' CD1' ' HD3' ' A' ' 157' ' ' LYS . 23.4 tp -98.98 143.32 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 136' ' ' ILE . 8.9 mt -66.54 -42.02 87.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.01 -42.95 93.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.0 -35.23 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.438 HD21 ' HE2' ' A' ' 109' ' ' PHE . 23.8 tp -62.4 -43.16 99.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.16 -44.85 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.557 ' C ' ' CD1' ' A' ' 126' ' ' PHE . 1.4 t80 -69.76 -38.97 76.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -56.62 -44.83 81.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 33.2 mtt -96.7 -16.48 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 95.61 -28.25 12.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 84.0 mt -51.67 147.37 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -56.86 153.02 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.6 m -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.94 -46.45 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.1 -44.22 87.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.699 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.533 HG12 HD22 ' A' ' 121' ' ' LEU . 66.6 mt -63.65 -43.2 98.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.1 -32.57 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.3 -46.92 84.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -70.0 -42.89 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.07 -40.87 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.91 -45.21 82.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.84 -42.14 97.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -31.74 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.9 m -71.77 -46.57 57.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.24 -18.43 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.35 37.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -40.55 -32.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.536 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.1 mt -137.83 155.75 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 60.9 m -129.37 122.05 28.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -160.69 174.93 37.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.42 147.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.48 132.39 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.62 172.92 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.75 -7.66 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -98.72 21.9 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 44.66 43.69 8.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.431 ' HD3' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -107.22 153.07 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.943 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -107.48 122.18 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.37 115.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.536 ' OH ' HD23 ' A' ' 148' ' ' LEU . 9.6 t80 -107.84 134.47 50.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.933 0.396 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 142' ' ' LEU . 13.3 mt -62.23 -44.78 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -46.07 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -63.77 -36.42 83.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.9 t80 -68.07 -46.64 70.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 113' ' ' ILE . 89.0 mt -60.11 -44.25 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -56.91 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.81 -35.83 77.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.015 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.7 mt -67.54 -41.11 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.74 -50.06 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -71.84 -42.14 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 m -69.93 109.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.75 -44.13 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.8 HG13 ' HE3' ' A' ' 157' ' ' LYS . 99.4 t -127.48 117.75 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.05 123.98 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 120' ' ' LEU . 3.3 mm? -97.26 142.96 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.661 HD13 HG12 ' A' ' 136' ' ' ILE . 18.4 mt -61.94 -40.41 95.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.01 -42.85 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.11 -39.89 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.79 -38.87 89.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.01 -46.32 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -69.97 -43.81 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -56.14 -46.75 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 52.5 mtt -94.97 -9.49 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 86.87 -34.23 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 39.1 mt -48.75 153.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 161.83 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.6 m -64.96 -48.1 75.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -66.83 -43.98 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.95 -48.58 81.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 121' ' ' LEU . 58.3 mt -61.47 -42.62 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -57.45 -32.15 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -63.93 -47.35 80.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -67.79 -48.24 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.05 -37.77 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -42.11 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 106' ' ' LEU . 79.6 mt -69.17 -43.57 73.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 139' ' ' ILE . 64.9 mt -64.11 -32.39 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.6 m -68.67 -46.4 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.24 -17.87 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.22 -18.52 48.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 24.4 m -42.18 -26.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.554 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.4 mt -144.57 152.09 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.8 t -124.88 127.88 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.49 43.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.78 147.91 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.8 mt -114.47 133.08 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.57 171.62 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.22 -8.61 8.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -101.41 22.98 11.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 51.33 25.12 11.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.8 ' HE3' HG13 ' A' ' 118' ' ' VAL . 1.5 tmtp? -86.56 142.05 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.426 ' N ' ' HD3' ' A' ' 157' ' ' LYS . 30.6 t80 -104.46 122.41 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 26.5 mt -120.01 113.51 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.554 ' OH ' HD23 ' A' ' 148' ' ' LEU . 11.4 t80 -107.31 146.75 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -64.45 -46.29 83.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.77 -34.75 77.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 29.8 t80 -67.93 -43.62 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 HD21 ' A' ' 148' ' ' LEU . 62.2 mt -65.17 -46.78 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -53.82 -44.41 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -61.64 -43.19 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.78 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 55.7 mt -62.72 -37.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 160' ' ' TYR . 32.8 mmtt -65.36 -50.22 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.7 ptmt -66.75 -42.55 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.517 ' HB2' HG22 ' A' ' 119' ' ' VAL . 36.2 p -70.2 114.27 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -61.66 -60.4 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.22 113.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 116' ' ' SER . 13.5 t -117.42 133.22 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.802 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -95.8 135.9 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.583 HD22 HG12 ' A' ' 136' ' ' ILE . 31.3 mt -60.66 -42.27 96.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.802 ' H ' HD23 ' A' ' 120' ' ' LEU . 17.3 mt-10 -65.0 -36.01 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -74.98 -35.18 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.624 HD21 ' CE1' ' A' ' 109' ' ' PHE . 41.9 tp -62.16 -39.85 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.27 -46.43 88.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.6 t80 -70.01 -46.95 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -56.0 -46.25 78.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 mtt -96.95 -1.42 45.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.53 -44.46 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.527 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 42.6 mt -41.83 154.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -71.34 151.8 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 25.2 m -55.2 -47.69 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -66.43 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.67 -49.01 79.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.83 92.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.583 HG12 HD22 ' A' ' 121' ' ' LEU . 68.3 mt -60.15 -42.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -55.91 -42.69 76.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -41.95 75.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 124' ' ' LEU . 38.0 mt -62.93 -41.93 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.2 -41.24 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.27 -42.69 96.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.67 -35.52 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 148' ' ' LEU . 11.7 mt -70.97 -31.71 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 86.3 m -67.21 -42.18 84.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.33 -18.33 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 106.87 -22.58 29.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.8 m -40.12 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 143' ' ' LEU . 32.6 mt -145.89 139.07 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 89.9 m -123.63 121.94 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.99 43.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.56 153.88 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 49.6 mt -126.55 119.43 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.79 176.86 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.55 2.41 19.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -91.28 20.33 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.18 39.5 34.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 158' ' ' PHE . 4.8 tppt? -120.92 147.04 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 46.6 t80 -104.46 122.05 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.22 113.03 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 28.8 t80 -97.5 128.44 44.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.104 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.6 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.37 -47.71 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -63.83 -46.27 85.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.87 -36.16 79.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 52.8 t80 -64.76 -42.45 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.402 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 50.7 mt -69.27 -52.51 32.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -55.67 -35.52 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -68.31 -41.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.645 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -62.61 -36.07 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 1.8 mptm? -63.81 -48.74 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -64.55 -42.57 95.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.581 ' HB2' HG22 ' A' ' 119' ' ' VAL . 12.1 p -70.33 102.88 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -48.64 -55.73 10.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 81.3 t -125.82 117.25 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 116' ' ' SER . 16.0 t -116.97 131.77 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.97 141.28 31.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.23 -42.1 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.12 -43.06 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.45 -37.33 71.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 139' ' ' ILE . 35.8 tp -60.25 -39.16 85.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.0 -46.96 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -69.08 -44.66 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 127' ' ' GLN . 1.4 tm0? -55.69 -45.43 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.5 mtt -95.74 -4.29 44.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.29 -42.94 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt -42.32 162.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -78.47 159.58 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.3 m -55.34 -45.5 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -68.98 -38.32 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.27 -48.94 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.03 -41.98 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -56.03 -44.39 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -63.76 -45.37 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 124' ' ' LEU . 62.9 mt -63.1 -43.17 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -56.62 -36.06 69.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -68.27 -35.31 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 148' ' ' LEU . 71.7 mt -70.75 -46.4 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 148' ' ' LEU . 2.2 mm? -63.97 -34.75 78.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.88 -46.41 78.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.02 -16.76 61.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.89 -15.41 61.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 87.0 m -41.1 -32.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 160' ' ' TYR . 35.8 mt -133.72 151.43 51.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.9 t -133.11 127.23 33.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.42 43.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.18 139.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 157' ' ' LYS . 65.9 mt -116.04 119.34 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.52 176.71 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.09 25.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.33 -16.26 14.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.84 41.31 5.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 152' ' ' ILE . 44.6 mtpt -127.86 158.92 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -109.63 126.34 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.0 mt -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.61 ' CE1' HD22 ' A' ' 148' ' ' LEU . 45.0 t80 -108.26 143.7 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.32 -47.8 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.3 m -66.27 -46.34 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -67.74 -37.37 82.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.642 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.6 t80 -63.86 -44.78 92.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.787 HG23 HD21 ' A' ' 148' ' ' LEU . 63.7 mt -68.56 -39.94 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -54.19 -44.41 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 116' ' ' SER . 4.1 t80 -62.72 -38.93 92.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.642 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 74.3 mt -67.08 -37.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -65.19 -50.39 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.3 pttt -72.29 -39.1 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.523 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 9.5 t -69.97 107.95 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.75 -48.63 74.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.99 118.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.419 HG22 ' OG ' ' A' ' 116' ' ' SER . 13.1 t -117.12 126.74 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 120' ' ' LEU . 3.3 mm? -98.47 144.01 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.59 -40.01 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.97 -43.03 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.99 -37.58 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 109' ' ' PHE . 32.3 tp -61.75 -44.07 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.08 -45.93 92.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -69.0 -41.81 77.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -58.96 -46.02 89.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.1 mtt -100.05 4.18 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 77.83 -47.05 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.54 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 45.1 mt -38.51 153.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.48 157.02 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.8 m -56.58 -47.82 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.43 ' HA ' HD12 ' A' ' 136' ' ' ILE . 73.0 tp60 -67.68 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.07 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 133' ' ' GLN . 62.4 mt -60.02 -41.96 88.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -56.09 -43.8 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.33 83.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.57 -40.0 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -61.08 -40.2 92.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.55 -40.93 84.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.61 -43.03 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 148' ' ' LEU . 32.3 mt -63.94 -33.36 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.5 m -68.34 -44.62 74.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.37 -20.84 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.54 -27.22 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.1 m -36.0 -33.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.787 HD21 HG23 ' A' ' 110' ' ' ILE . 27.7 mt -133.17 145.67 50.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 92.7 m -126.88 122.31 34.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.89 175.02 43.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.19 152.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.68 119.22 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 169.08 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.85 0.1 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -7.65 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.46 34.54 25.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -119.23 151.46 38.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -105.6 124.58 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.22 113.07 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.595 ' OH ' HD23 ' A' ' 148' ' ' LEU . 13.3 t80 -97.84 150.66 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 78.8 mt -69.72 -47.38 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 -45.18 81.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.84 -34.17 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.895 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 17.9 t80 -68.8 -48.55 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.727 HG23 HD21 ' A' ' 148' ' ' LEU . 68.1 mt -62.02 -49.94 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.43 -39.9 64.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.8 -44.96 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 35.5 mt -63.22 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.91 -50.17 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -72.05 -42.17 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 m -69.95 113.91 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -58.51 -55.05 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.6 t -127.94 124.46 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.4 t -120.15 125.84 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.774 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -88.05 136.41 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.56 -42.32 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.774 ' H ' HD23 ' A' ' 120' ' ' LEU . 37.0 mt-10 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -74.96 -36.77 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.73 -44.84 96.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -65.98 -36.3 82.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 9.4 t80 -69.97 -50.0 46.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -65.07 -46.82 79.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.0 mtt -89.23 -1.45 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 125' ' ' ALA . . . 75.33 -47.57 2.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.7 mt -36.83 153.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -69.71 155.64 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.6 m -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -63.52 -41.08 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -58.22 -47.24 84.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.95 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 53.7 mt -61.11 -46.81 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.34 -39.73 76.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -63.49 -47.45 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.539 HG21 ' CE1' ' A' ' 158' ' ' PHE . 39.1 mt -63.64 -47.68 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.46 -38.8 72.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.39 -46.95 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 158' ' ' PHE . 92.6 mt -65.39 -36.03 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.4 m -68.25 -43.15 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.51 -18.9 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.89 -26.23 24.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 47.8 m -38.44 -34.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.727 HD21 HG23 ' A' ' 110' ' ' ILE . 29.4 mt -135.17 155.07 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.4 p -128.86 123.5 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.98 172.66 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.49 151.9 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 89.1 mt -123.43 125.97 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.5 175.73 7.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.06 -18.73 65.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -86.29 -2.14 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 70.97 31.58 66.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -88.92 147.32 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.613 ' HE2' HG21 ' A' ' 113' ' ' ILE . 6.0 t80 -104.26 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 48.7 mt -133.09 113.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.565 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -101.83 136.52 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HE2' HD11 ' A' ' 130' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 107' ' ' THR . 3.9 pp -70.24 -43.22 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 106' ' ' LEU . 43.0 m -66.36 -46.44 76.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -38.69 83.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.678 ' HE1' HD11 ' A' ' 124' ' ' LEU . 32.2 t80 -66.04 -48.79 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.55 -46.01 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -55.32 -36.52 66.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.86 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 109' ' ' PHE . 67.3 mt -67.25 -40.76 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -53.85 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -72.14 -42.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.2 m -70.01 101.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.63 -44.91 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.3 119.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.01 133.06 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -98.6 137.73 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 158' ' ' PHE . 20.8 mt -68.02 -42.04 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.0 -43.09 93.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.09 -38.78 61.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD11 ' HE1' ' A' ' 109' ' ' PHE . 15.4 tp -62.18 -39.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -46.95 88.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.93 -42.36 73.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.433 ' C ' ' CD ' ' A' ' 127' ' ' GLN . 1.8 tm0? -55.81 -47.01 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.2 mtt -95.2 -5.04 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 83.44 -37.33 2.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 105' ' ' PHE . 37.9 mt -45.03 161.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -76.27 153.31 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.1 m -57.17 -43.53 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.83 -44.85 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.55 -49.03 78.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.48 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.659 HG12 HD22 ' A' ' 121' ' ' LEU . 66.8 mt -61.07 -50.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.29 -36.87 81.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -68.56 -37.29 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 124' ' ' LEU . 49.8 mt -69.56 -49.08 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.456 ' HA ' HD13 ' A' ' 143' ' ' LEU . 10.4 mm100 -55.44 -34.37 64.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.29 -32.76 73.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.95 -36.54 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 140' ' ' GLN . 4.3 mp -63.94 -33.21 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.7 m -66.91 -38.44 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -80.73 10.56 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.68 20.26 69.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.9 m -80.12 -38.07 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 160' ' ' TYR . 54.1 mt -134.19 147.27 50.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.0 m -126.07 121.96 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -169.01 174.81 43.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.86 144.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 71.2 mt -110.87 115.6 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -76.33 177.74 7.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.16 13.62 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -95.54 -0.35 52.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.49 43.42 86.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -130.6 161.2 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.703 ' HB2' HD21 ' A' ' 121' ' ' LEU . 15.3 t80 -104.06 122.0 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.05 113.41 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 148' ' ' LEU . 72.4 t80 -110.95 137.33 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 73.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.895 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 130' ' ' LEU . 20.1 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.04 -46.93 82.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.2 m -62.21 -46.24 89.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.28 -40.46 86.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 113' ' ' ILE . 5.0 t80 -65.69 -42.05 91.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 148' ' ' LEU . 82.8 mt -68.93 -44.68 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.5 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -66.6 -35.11 79.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 109' ' ' PHE . 56.6 mt -68.19 -45.03 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HE2' HG22 ' A' ' 110' ' ' ILE . 27.2 mttt -54.33 -50.1 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -72.14 -41.96 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.1 m -69.89 97.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -43.89 -49.61 8.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.2 t -128.01 135.34 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.57 126.02 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.28 143.95 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.69 HD22 HG12 ' A' ' 136' ' ' ILE . 19.7 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -36.42 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 109' ' ' PHE . 48.2 tp -61.99 -37.79 86.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.97 -46.86 76.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.9 t80 -70.01 -39.71 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.09 -46.92 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.5 mtt -103.4 -1.89 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.37 -36.42 2.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 105' ' ' PHE . 44.5 mt -40.59 153.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -64.75 151.51 45.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 24.0 m -56.47 -48.83 76.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.73 -39.0 90.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.42 -48.87 79.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.69 HG12 HD22 ' A' ' 121' ' ' LEU . 65.3 mt -60.67 -42.42 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.89 -38.77 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -66.55 -39.8 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.53 -48.48 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.21 -38.54 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -68.62 -46.53 69.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.45 -36.71 85.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 148' ' ' LEU . 38.4 mt -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.9 m -69.43 -40.07 77.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -74.52 -20.52 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.8 -18.83 45.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.2 m -45.09 -27.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.737 ' O ' HD23 ' A' ' 143' ' ' LEU . 23.1 mt -139.59 143.8 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 34.5 m -116.97 122.38 44.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.14 174.55 42.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.74 149.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.84 129.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -94.23 176.41 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.88 0.1 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -105.08 23.8 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.01 42.75 6.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -109.28 148.71 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.609 ' HE1' HD11 ' A' ' 143' ' ' LEU . 12.9 t80 -106.66 123.81 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.0 mt -121.64 115.5 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.647 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -108.94 141.19 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' H ' ' A' ' 106' ' ' LEU . 4.5 mp -70.27 -45.85 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.0 m -58.82 -46.38 87.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 12.5 pt-20 -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.739 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 26.6 t80 -64.1 -46.52 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.12 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -53.45 -41.59 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.96 -37.62 86.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.739 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.5 mt -68.06 -39.13 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.96 -50.19 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -72.21 -42.26 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -70.07 103.08 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -60.77 -35.54 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 94.9 t -128.05 112.27 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.1 t -117.79 124.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.97 142.22 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.552 HD13 HG12 ' A' ' 136' ' ' ILE . 36.0 mt -68.07 -41.98 81.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.99 -42.36 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.28 -40.44 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.638 HD21 ' CE1' ' A' ' 109' ' ' PHE . 51.4 tp -56.13 -41.65 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -44.66 97.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -56.52 -46.28 80.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 36.6 mtt -101.98 -6.79 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 88.96 -37.82 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 134' ' ' ASP . 96.8 mt -38.32 152.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -65.15 153.93 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.1 m -55.52 -47.08 76.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -68.95 -43.26 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 130' ' ' LEU . 19.3 t70 -59.09 -47.89 83.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -61.83 -45.73 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 121' ' ' LEU . 76.1 mt -60.89 -42.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -55.91 -33.72 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -63.7 -47.68 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.4 mp -67.58 -42.36 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -56.06 -40.91 74.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -68.81 -41.21 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.36 -46.53 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 148' ' ' LEU . 32.0 mt -64.79 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.8 m -68.04 -39.32 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.36 -20.17 59.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 106.47 -28.71 12.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.3 m -36.02 -36.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.336 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 160' ' ' TYR . 33.4 mt -133.34 156.25 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.6 p -132.66 122.97 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.37 174.8 38.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.2 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 80.2 mt -123.67 134.89 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -99.42 173.56 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -56.46 -14.69 3.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -94.67 23.95 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 45.27 28.4 2.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -87.92 140.46 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -107.58 122.53 46.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 56.2 mt -117.56 116.51 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.591 ' CE1' HD22 ' A' ' 148' ' ' LEU . 58.7 t80 -104.87 120.04 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.681 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.9 mp -69.08 -46.68 67.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -65.21 -45.88 82.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.29 -34.08 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 4.0 t80 -68.03 -48.51 65.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.75 -39.02 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -54.95 -33.65 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -65.5 -46.23 80.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 59.7 mt -66.86 -43.66 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.95 -47.61 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -71.05 -42.19 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -70.12 -174.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -125.96 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.47 110.63 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.99 125.84 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -97.95 144.1 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 23.1 mt -55.85 -42.17 75.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.8 tt0 -64.96 -42.98 94.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.58 -40.02 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.38 -43.44 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.84 -46.58 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 3.8 t80 -68.19 -42.42 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.04 -46.34 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.0 mtt -91.71 -3.98 55.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.83 -38.46 3.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.483 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 31.9 mt -45.88 159.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -75.1 158.28 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.3 m -62.36 -46.72 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.94 -37.4 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -48.95 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.05 98.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 68.1 mt -60.01 -42.15 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -56.93 -43.92 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -45.36 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.46 ' O ' HD23 ' A' ' 143' ' ' LEU . 28.2 mt -60.17 -45.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -56.0 -39.32 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.42 -35.51 81.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.58 -50.09 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 148' ' ' LEU . 4.1 mm? -64.07 -31.91 73.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 36.8 m -69.46 -47.55 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.63 -20.19 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.6 -22.34 30.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.9 m -38.29 -35.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.757 HD22 ' CE1' ' A' ' 160' ' ' TYR . 44.9 mt -134.25 151.49 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 69.2 p -128.7 122.3 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.38 175.0 43.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.38 158.45 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 92.0 mt -126.48 133.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -102.87 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -49.53 -22.55 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -89.09 21.98 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.28 36.23 2.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.36 144.23 26.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -103.93 135.72 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.26 114.34 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.757 ' CE1' HD22 ' A' ' 148' ' ' LEU . 15.7 t80 -105.81 133.15 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.24 -47.02 81.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.2 m -65.91 -44.6 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.27 -33.36 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.6 t80 -66.48 -44.48 82.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.8 -46.21 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -55.87 -39.56 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -64.79 -39.85 94.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.691 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 70.9 mt -64.91 -37.6 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -58.11 -50.14 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -72.07 -41.92 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -69.99 111.64 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' VAL . 14.9 ptpt -67.89 -41.44 82.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 90.2 t -127.98 114.82 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.1 t -117.12 126.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD13 ' HD3' ' A' ' 157' ' ' LYS . 51.4 tp -98.21 134.57 41.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.673 HD22 HG12 ' A' ' 136' ' ' ILE . 26.1 mt -59.92 -41.82 92.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.27 -42.94 99.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.85 -30.91 61.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.03 -46.81 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.51 -41.5 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -69.93 -43.8 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.99 -45.87 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.9 mtt -94.35 -5.16 47.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.71 -42.61 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.557 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 61.7 mt -39.24 150.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -60.68 160.62 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 89.5 m -62.42 -48.93 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -67.42 -38.53 84.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -47.73 84.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.85 -44.45 93.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.673 HG12 HD22 ' A' ' 121' ' ' LEU . 87.0 mt -62.19 -42.32 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -56.89 -32.28 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 3.9 mmm180 -65.22 -48.97 71.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 135' ' ' ALA . 4.9 mp -63.45 -38.88 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -55.98 -43.27 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.4 -34.64 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.914 HD13 HD12 ' A' ' 148' ' ' LEU . 26.0 mt -69.8 -48.81 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 148' ' ' LEU . 3.0 mm? -65.74 -32.62 74.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 96.1 m -71.52 -40.93 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -78.45 -20.88 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.16 -22.92 33.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 88.0 m -38.5 -39.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.164 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 142' ' ' LEU . 20.2 mt -130.09 150.99 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.9 m -128.84 126.84 40.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' HD11 ' A' ' 143' ' ' LEU . . . -166.55 174.92 42.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.4 m -127.28 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 64.0 mt -112.61 133.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -97.34 170.99 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -12.41 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -93.47 23.46 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.67 35.76 4.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.467 ' HD3' HD13 ' A' ' 120' ' ' LEU . 20.8 mmmt -100.07 145.99 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.54 122.85 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.0 114.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -104.87 138.9 40.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -69.02 -47.73 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -66.34 -46.31 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.68 -33.08 74.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 50.5 t80 -64.34 -43.5 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 148' ' ' LEU . 57.8 mt -69.27 -38.09 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -53.03 -27.82 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.6 -43.7 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 23.8 mt -68.41 -45.58 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' A' ' 110' ' ' ILE . 1.8 mmmm -54.03 -50.17 67.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.19 -42.13 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -70.08 116.38 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.41 -52.52 64.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -127.38 117.46 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.36 134.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.9 tp -98.71 141.13 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.4 mt -64.1 -42.02 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.96 -43.01 94.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.01 -34.9 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 139' ' ' ILE . 61.6 tp -60.36 -37.52 80.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.71 -46.97 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -69.48 -39.78 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.3 -46.71 72.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.4 mtt -99.05 -6.96 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.16 -36.03 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 mt -42.45 165.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -77.54 155.8 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.0 m -56.73 -48.03 78.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -67.87 -40.84 83.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.95 -47.41 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.51 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 50.0 mt -60.47 -42.03 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -55.95 -40.26 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -66.12 -47.36 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.621 HD11 ' CD2' ' A' ' 124' ' ' LEU . 44.3 mt -62.72 -46.96 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -57.06 -40.32 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.8 -45.2 83.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.61 -45.13 84.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 148' ' ' LEU . 25.6 mt -64.73 -36.3 83.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.0 m -62.09 -45.83 91.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.04 -19.07 62.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.36 -15.68 42.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.8 m -42.48 -29.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 160' ' ' TYR . 55.3 mt -142.52 157.6 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 37.5 p -133.8 122.94 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.88 172.2 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.87 151.68 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.3 mt -110.57 132.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.43 174.04 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.55 -9.75 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -97.9 19.44 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.67 28.07 14.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -93.29 144.06 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 143' ' ' LEU . 16.6 t80 -105.86 122.61 46.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.2 mt -113.02 119.03 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' TYR . . . . . 0.758 ' CE1' HD22 ' A' ' 148' ' ' LEU . 74.4 t80 -107.73 124.39 49.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -60.32 148.53 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 p -117.66 171.4 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.08 -152.47 21.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.8 m -84.24 50.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.0 p -95.11 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.62 -42.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.77 -34.2 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.02 -46.94 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 m -65.57 -46.11 80.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.62 -36.12 80.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 5.4 t80 -64.51 -40.64 96.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.447 ' HA ' HD12 ' A' ' 113' ' ' ILE . 76.7 mt -68.33 -45.04 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -59.4 -35.28 73.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.707 ' HE2' HE22 ' A' ' 127' ' ' GLN . 34.3 t80 -66.21 -37.96 86.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.632 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 mt -65.69 -44.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.6 mptm? -55.22 -49.93 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -69.34 -42.06 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.7 m -69.99 116.13 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -63.34 -54.94 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.8 t -121.43 117.84 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.84 126.16 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 tp -98.43 143.9 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.8 mt -65.56 -41.93 92.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -64.98 -42.85 94.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.6 -34.92 65.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD2' HD11 ' A' ' 139' ' ' ILE . 33.8 tp -56.7 -46.85 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.95 -35.61 81.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.21 -49.71 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.707 HE22 ' HE2' ' A' ' 112' ' ' TYR . 15.5 pt20 -64.85 -42.86 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.476 ' N ' ' HG3' ' A' ' 127' ' ' GLN . 11.0 mtt -86.49 -5.98 59.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.42 -39.88 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.654 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 29.9 mt -46.3 171.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -86.28 155.75 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 136' ' ' ILE . 93.8 m -55.97 -48.98 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.76 -43.65 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.67 -47.54 84.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.44 93.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.489 ' CD1' HG22 ' A' ' 132' ' ' THR . 62.9 mt -61.07 -43.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.34 -41.14 75.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -67.54 -41.3 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 143' ' ' LEU . 21.9 mt -66.61 -45.15 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.5 -39.76 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -45.95 80.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.1 -38.18 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 148' ' ' LEU . 56.2 mt -71.01 -30.99 67.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 73.0 m -68.24 -41.87 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -74.79 -15.13 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.26 -21.58 42.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 42.6 m -40.94 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 143' ' ' LEU . 34.8 mt -139.93 147.24 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 74.9 p -121.76 122.97 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.68 39.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.38 151.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.07 134.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -97.11 176.65 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -10.62 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -97.61 21.56 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.824 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 43.37 40.0 4.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HD2' HD11 ' A' ' 159' ' ' ILE . 12.6 ptpt -102.01 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.51 ' CE1' HD11 ' A' ' 143' ' ' LEU . 14.8 t80 -106.08 124.2 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.665 HD11 ' HD2' ' A' ' 157' ' ' LYS . 47.7 mt -123.0 115.63 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.609 ' OH ' HD23 ' A' ' 148' ' ' LEU . 5.2 t80 -101.79 131.55 48.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.1 mt -115.08 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -105.3 141.19 22.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 117.69 5.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.9 t -78.99 127.21 31.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 115.21 -94.87 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.49 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 94.5 p -92.94 44.03 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 26.3 t -118.65 148.17 43.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.4 p 38.89 42.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.3 p -137.6 171.12 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.61 -135.13 14.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -102.94 42.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.8 m -94.49 -51.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.22 51.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.44 -37.46 86.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.01 -47.04 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 m -61.78 -46.22 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.81 -34.01 75.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 14.3 t80 -69.31 -40.76 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.56 HG23 HD21 ' A' ' 148' ' ' LEU . 76.7 mt -69.31 -45.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -53.5 -41.95 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.32 -39.14 93.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.633 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 53.8 mt -68.32 -37.92 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -57.17 -50.23 73.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -72.04 -42.26 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 m -70.01 114.62 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -67.49 -46.13 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -127.87 115.51 39.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.0 137.36 51.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 mp -98.94 141.84 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.99 -41.81 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.98 -42.93 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.61 -39.27 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.549 HD11 ' HE1' ' A' ' 109' ' ' PHE . 23.8 tp -56.75 -41.13 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.68 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.93 -43.16 99.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.85 -43.22 75.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -54.0 -46.58 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.4 mtt -98.37 -5.22 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.81 -41.82 3.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.68 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 23.0 mt -41.69 156.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -72.74 158.02 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.9 m -57.31 -47.09 82.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -65.43 -36.74 84.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -61.47 -44.87 96.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.29 -42.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -56.14 -43.74 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -64.62 -41.19 96.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.85 -42.53 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.37 -40.33 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -45.61 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.05 -41.3 91.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 148' ' ' LEU . 45.9 mt -64.49 -33.39 75.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.9 m -68.54 -40.14 80.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.89 -20.51 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.51 -27.19 19.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 146' ' ' GLY . 90.8 m -36.22 -34.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 143' ' ' LEU . 43.7 mt -135.58 139.29 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 82.0 p -114.52 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.36 172.68 42.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.58 158.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.301 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.95 128.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 176.58 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 154' ' ' ASP . 1.1 t70 -70.94 -1.77 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -98.13 -4.17 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 73.95 27.99 65.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -94.64 155.61 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.7 125.73 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.11 113.9 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.615 ' OH ' HD23 ' A' ' 148' ' ' LEU . 17.9 t80 -109.01 143.82 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.9 mt -117.21 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -84.23 141.17 39.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.52 0.676 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 151.02 68.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.3 m 58.67 32.09 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -145.62 146.06 15.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 93.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 98.6 p -41.37 -48.33 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 66.2 m -122.91 150.73 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 55.8 m -91.71 -54.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 t -174.18 128.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.03 45.34 1.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 m -42.01 -51.92 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -79.1 -58.08 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.43 -39.66 2.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.49 -39.15 86.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.769 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.1 mp -68.26 -47.78 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.3 m -64.27 -46.32 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -65.79 -36.45 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 13.0 t80 -67.14 -48.74 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.34 -47.74 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -53.62 -44.4 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -61.62 -37.85 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 81.5 mt -65.27 -42.73 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -57.79 -49.27 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -71.92 -42.13 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.5 m -70.0 100.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.09 -47.79 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.96 116.95 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.44 130.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.74 140.04 32.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.4 mt -64.96 -41.94 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -64.97 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -72.72 -32.71 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 109' ' ' PHE . 27.1 tp -62.23 -37.28 84.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.06 -46.97 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -70.04 -40.09 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.03 -47.01 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 41.8 mtt -103.13 -1.9 28.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 85.73 -43.4 3.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.485 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 32.2 mt -37.94 143.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 131' ' ' ARG . 2.4 mpt_? -62.38 157.92 18.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.6 m -59.02 -41.76 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -68.22 -41.13 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.0 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.76 -43.79 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -57.64 -44.29 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.07 -43.22 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.58 -37.08 70.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.96 -35.07 79.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.803 HD13 HD12 ' A' ' 148' ' ' LEU . 83.4 mt -69.23 -42.05 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 148' ' ' LEU . 2.4 mm? -71.96 -31.91 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 71.7 m -69.33 -40.86 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -77.66 -19.68 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.88 45.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.6 m -40.15 -40.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 142' ' ' LEU . 46.0 mt -127.15 139.01 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.7 p -115.57 124.54 51.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.48 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.73 145.17 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.82 133.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.34 172.24 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -58.66 -22.92 58.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -84.4 -11.32 56.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 79.66 38.64 19.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.69 146.12 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -104.25 122.36 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.85 113.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.604 ' CE1' HD22 ' A' ' 148' ' ' LEU . 21.7 t80 -95.47 123.58 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 60.5 mt -115.86 92.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.458 ' HB ' ' CE2' ' A' ' 160' ' ' TYR . 1.3 t -108.19 141.22 22.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.53 25.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 79.2 p -123.04 133.52 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -54.29 -70.01 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 87.18 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.407 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 25.0 m -55.17 -61.85 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 56.6 m 60.95 41.99 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.9 m -46.6 124.6 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.6 p -161.73 172.52 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.99 78.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t -97.37 151.72 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -138.34 118.91 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.43 53.19 1.16 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.01 -36.39 79.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 mt -70.17 -47.82 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 79.8 m -64.99 -46.31 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.85 -33.43 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -70.12 -46.46 64.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.3 mt -66.22 -42.15 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.05 -44.47 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.73 -37.46 84.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 61.3 mt -66.95 -37.42 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -64.06 -50.14 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.9 ptpt -71.76 -42.22 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 118' ' ' VAL . 58.8 m -70.01 74.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -34.88 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' SER . 49.1 t -128.03 119.01 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.58 124.13 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.08 138.8 34.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 136' ' ' ILE . 12.7 mt -67.84 -41.98 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -64.98 -42.89 94.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -40.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.504 HD21 ' HE1' ' A' ' 109' ' ' PHE . 41.1 tp -56.06 -41.01 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -59.96 -46.45 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.87 -40.73 75.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -54.36 -46.97 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 34.0 mtt -105.05 5.17 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.27 -43.87 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.2 mt -37.44 155.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.29 152.87 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.9 m -55.11 -45.42 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.47 -43.16 77.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.452 ' HA ' ' ND2' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -58.06 -45.13 87.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.06 95.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 91.0 mt -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 134' ' ' ASP . 2.3 m-20 -55.98 -41.53 74.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -66.85 -48.41 68.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 mt -61.66 -42.29 93.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -58.61 -40.36 83.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -43.15 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.15 -40.09 90.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 148' ' ' LEU . 55.8 mt -69.27 -36.57 77.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.3 m -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.35 -20.06 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.48 -25.72 23.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.4 m -41.65 -27.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 160' ' ' TYR . 73.4 mt -141.83 151.29 42.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.2 t -134.48 126.9 30.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.82 174.64 43.42 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.58 152.4 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.51 119.24 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.02 173.8 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -77.12 7.41 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -92.28 9.84 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 59.43 39.86 95.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -126.71 155.23 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -105.98 130.56 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.97 114.07 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.619 ' CE1' HD22 ' A' ' 148' ' ' LEU . 41.5 t80 -96.45 143.36 27.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.97 116.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -175.01 141.2 0.67 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 50.3 m -132.44 -41.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 156.13 -160.05 29.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 84.6 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 75.1 m -137.14 148.99 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 64.9 p -134.6 145.52 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.5 t 42.0 42.1 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.7 m -107.94 173.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 166.89 67.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.1 t 46.12 41.03 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -115.97 97.55 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.8 43.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 130' ' ' LEU . 3.1 t80 -63.01 -36.26 82.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.04 -47.84 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m -66.29 -46.3 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.85 -35.2 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.0 t80 -64.22 -45.16 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 96.8 mt -65.53 -44.88 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 76.7 mt -67.34 -45.13 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.2 mptm? -54.65 -50.17 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -72.09 -42.15 66.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.7 m -70.0 107.34 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.87 -45.82 92.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.7 115.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.08 124.48 73.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.35 141.66 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.764 HD22 HG12 ' A' ' 136' ' ' ILE . 19.2 mt -67.86 -41.98 82.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.99 -43.04 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -74.95 -33.78 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.77 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.27 -45.3 85.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.63 -49.97 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -55.79 -45.28 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 mtt -90.63 -7.82 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.19 -38.99 2.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE1' ' A' ' 105' ' ' PHE . 47.1 mt -44.54 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -71.37 159.58 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.1 m -60.86 -47.11 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -68.99 -47.2 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.1 -44.83 87.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.4 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.764 HG12 HD22 ' A' ' 121' ' ' LEU . 77.5 mt -60.26 -42.01 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -56.08 -32.04 63.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -60.54 -45.77 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 158' ' ' PHE . 4.1 mp -69.59 -47.36 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.87 -41.25 95.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.67 -43.46 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.37 -36.84 82.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 148' ' ' LEU . 33.2 mt -67.35 -35.54 79.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.9 m -66.53 -42.21 87.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.69 -14.14 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 96.02 -23.09 36.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 146' ' ' GLY . 35.1 m -35.32 -43.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 143' ' ' LEU . 37.9 mt -128.23 150.31 50.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.5 m -126.15 123.22 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -159.62 173.96 36.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.57 140.42 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 157' ' ' LYS . 62.1 mt -121.87 126.38 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -79.44 177.92 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.67 28.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -106.37 -15.98 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.26 41.4 6.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 152' ' ' ILE . 32.3 ttmt -130.9 157.06 43.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE1' HG21 ' A' ' 139' ' ' ILE . 16.3 t80 -104.9 124.31 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 76.5 mt -126.3 113.8 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.418 ' CE1' HD22 ' A' ' 148' ' ' LEU . 39.0 t80 -102.95 133.61 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.37 111.12 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 163' ' ' PRO . 83.5 m -106.57 139.21 20.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.75 141.01 44.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 60.6 p -165.17 128.46 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -133.01 -74.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 92.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.5 m -88.57 127.1 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.6 m -144.23 134.42 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.0 p -50.57 107.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.0 p -129.7 108.4 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -107.17 110.23 3.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -94.35 159.01 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -55.84 112.94 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.28 63.03 1.42 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.0 -47.53 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 111' ' ' ASN . 31.9 m -66.2 -46.26 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.76 -35.97 81.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.604 ' HE1' HD11 ' A' ' 124' ' ' LEU . 23.9 t80 -69.49 -45.04 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.44 -42.34 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 107' ' ' THR . 60.7 m-20 -62.82 -32.34 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.86 -34.0 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.419 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 94.7 mt -65.14 -47.15 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -71.38 -42.13 68.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG22 ' A' ' 119' ' ' VAL . 19.3 m -69.93 94.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -45.0 -59.5 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.6 t -119.24 117.98 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 124' ' ' LEU . 58.7 t -117.03 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.61 142.81 26.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 156' ' ' GLY . 14.5 mt -63.17 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.77 -42.77 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -31.53 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.604 HD11 ' HE1' ' A' ' 109' ' ' PHE . 28.2 tp -62.79 -46.68 86.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -69.63 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -55.78 -46.38 77.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.6 mtt -99.22 -4.56 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.39 -43.0 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 30.0 mt -40.94 151.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -66.15 157.18 31.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 21.8 m -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.68 -45.82 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.1 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.513 HG12 HD22 ' A' ' 121' ' ' LEU . 67.3 mt -61.73 -42.08 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -56.05 -40.07 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -62.46 -46.51 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 124' ' ' LEU . 50.3 mt -61.44 -44.69 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.24 -36.85 68.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 145' ' ' GLU . 5.1 m-20 -68.14 -37.38 81.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.509 HD13 HD12 ' A' ' 148' ' ' LEU . 66.3 mt -69.96 -49.02 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 139' ' ' ILE . 4.0 mm? -64.08 -39.28 93.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -41.63 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 8.3 mm-40 -73.36 -17.34 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.15 63.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 m -55.77 -34.27 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 160' ' ' TYR . 40.4 mt -134.35 163.23 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.1 p -134.16 125.87 28.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.54 175.0 39.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.64 148.94 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 94.0 mt -117.75 134.23 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.84 172.03 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.09 -17.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -92.5 18.47 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.57 ' O ' HD11 ' A' ' 121' ' ' LEU . . . 44.16 37.4 4.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 158' ' ' PHE . 3.1 ttmp? -96.19 147.47 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 157' ' ' LYS . 42.4 t80 -110.46 127.7 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.89 115.73 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.68 ' CE1' HD22 ' A' ' 148' ' ' LEU . 49.7 t80 -100.91 122.83 44.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.8 mt -92.79 121.04 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.684 HG23 ' HD2' ' A' ' 163' ' ' PRO . 85.6 m -132.02 139.18 34.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.9 Cg_endo -69.76 115.98 4.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.1 t -160.44 126.01 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -46.51 -80.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.55 69.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 28.4 m -143.56 119.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 40.5 p -90.34 -43.7 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.4 m -107.81 130.39 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -65.95 -61.55 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.41 110.5 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 p -153.08 174.59 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -59.99 170.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.51 -44.15 0.14 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -66.23 -39.55 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.9 -46.02 72.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.2 m -65.88 -46.22 79.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -37.51 82.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.615 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.7 t80 -64.2 -42.35 96.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 113' ' ' ILE . 80.6 mt -68.28 -40.84 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -54.4 -44.45 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 115' ' ' LYS . 51.5 t80 -61.7 -36.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -65.72 -41.08 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -60.12 -50.22 74.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 8.4 ptmm? -70.97 -42.04 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 4.1 t -69.92 115.01 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -65.52 -45.81 82.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.99 114.67 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 13.3 t -118.39 124.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.96 142.81 29.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 19.1 mt -63.91 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.99 -42.88 94.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.4 -38.67 63.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 135' ' ' ALA . 51.4 tp -57.81 -39.23 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.15 -46.55 88.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -70.0 -40.21 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -54.95 -46.97 75.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 55.9 mtt -100.01 -6.6 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.7 -37.53 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.412 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 72.5 mt -42.8 160.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -73.61 158.08 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.3 m -59.41 -47.9 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.11 -41.94 97.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 -45.45 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -65.31 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 56.0 mt -60.65 -45.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.28 -38.59 74.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -64.9 -48.66 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.69 -43.59 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.45 -41.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.59 -41.93 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.53 -37.89 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 148' ' ' LEU . 24.9 mt -70.23 -33.11 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.1 m -70.64 -42.76 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -69.8 -19.75 63.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.71 -23.41 31.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 55.9 m -37.9 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 143' ' ' LEU . 35.5 mt -127.05 150.71 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 53.9 m -125.75 122.36 36.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.69 39.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.4 147.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.46 133.67 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -99.28 171.73 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -11.25 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -90.3 21.0 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.57 51.86 6.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.532 ' NZ ' HD11 ' A' ' 159' ' ' ILE . 4.2 ptmm? -121.99 146.45 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.62 122.63 46.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.532 HD11 ' NZ ' ' A' ' 157' ' ' LYS . 45.3 mt -118.36 115.66 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.475 ' OH ' HD23 ' A' ' 148' ' ' LEU . 8.9 t80 -105.21 135.21 46.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 40.3 mt -100.46 117.21 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 163' ' ' PRO . 84.1 m -145.28 139.22 14.8 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.601 0.715 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 162' ' ' THR . 54.0 Cg_endo -69.74 144.79 55.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.9 t -59.15 135.17 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.89 156.2 13.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 41.5 t -45.54 158.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 73.3 m -74.92 -61.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p -64.3 94.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 t 70.64 42.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.77 144.43 15.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -71.33 128.41 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -110.83 97.28 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.22 40.37 2.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 0.4 OUTLIER -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 107' ' ' THR . 4.0 pp -62.62 -42.56 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 106' ' ' LEU . 69.7 m -66.23 -46.36 77.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.84 -33.21 74.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.2 t80 -66.73 -44.08 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.692 HG12 HD11 ' A' ' 148' ' ' LEU . 66.5 mt -66.74 -45.93 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -54.25 -42.45 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.93 -40.92 99.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.765 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 46.5 mt -66.0 -39.78 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -55.32 -50.25 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -72.09 -42.24 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -69.96 117.87 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.77 -55.71 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.45 120.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.8 125.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.94 143.97 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 132' ' ' THR . 24.6 mt -67.46 -35.34 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.0 -43.03 93.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.04 -36.97 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.07 -41.75 97.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.13 -46.99 86.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 6.3 t80 -68.8 -41.56 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.1 -46.99 84.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.6 mtt -98.27 -0.47 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 82.48 -43.01 2.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 22.4 mt -44.01 161.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.32 154.88 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 121' ' ' LEU . 38.7 m -57.16 -48.83 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.95 -45.09 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -45.73 87.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.83 98.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 121' ' ' LEU . 55.5 mt -60.07 -42.04 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.94 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 mt -60.84 -39.32 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.85 -41.98 92.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.81 -36.16 82.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 139' ' ' ILE . 48.8 mt -67.87 -41.31 83.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 148' ' ' LEU . 74.3 mt -70.34 -38.05 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.4 m -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.58 -18.4 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.75 -24.46 30.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.6 m -39.62 -34.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 111.198 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.692 HD11 HG12 ' A' ' 110' ' ' ILE . 39.7 mt -135.25 152.33 51.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' A' ' 160' ' ' TYR . 3.1 t -134.03 129.13 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.42 174.62 43.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.06 139.14 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 157' ' ' LYS . 68.0 mt -119.45 119.14 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.91 177.8 5.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.14 21.73 1.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -102.89 -15.52 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.32 39.93 7.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' ' 152' ' ' ILE . 0.7 OUTLIER -127.55 156.79 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -105.7 129.04 54.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 57.2 mt -128.85 113.84 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 149' ' ' THR . 6.5 t80 -109.04 145.61 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.3 mt -115.76 128.66 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.658 HG23 ' HD2' ' A' ' 163' ' ' PRO . 89.8 m -156.46 139.11 10.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.74 150.17 67.98 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 71.2 m -134.51 -52.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 155.1 -81.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 167' ' ' SER . 53.5 Cg_endo -69.79 -6.83 19.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 166' ' ' PRO . 11.8 m -37.88 152.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 44.4 t -154.34 128.33 8.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -49.74 -51.22 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t -54.54 110.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 160.95 41.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.6 t -124.03 153.47 41.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -85.98 108.84 18.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.0 48.89 4.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 16.2 t80 -63.3 -35.37 80.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.393 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 106' ' ' LEU . 3.9 mp -69.48 -47.79 62.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -64.2 -46.22 84.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.82 -34.72 77.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 113' ' ' ILE . 6.8 t80 -63.66 -46.99 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.545 HG22 ' NZ ' ' A' ' 114' ' ' LYS . 33.5 mt -67.17 -41.52 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -53.45 -28.54 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -75.99 -33.8 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 109' ' ' PHE . 88.6 mt -64.77 -42.75 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.545 ' NZ ' HG22 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -53.96 -50.2 67.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -72.07 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 119' ' ' VAL . 3.5 t -70.01 106.26 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -59.43 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.98 114.98 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.548 HG22 ' OG ' ' A' ' 116' ' ' SER . 11.8 t -117.18 130.78 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.431 ' CD1' ' HD3' ' A' ' 157' ' ' LYS . 23.4 tp -98.98 143.32 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 136' ' ' ILE . 8.9 mt -66.54 -42.02 87.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.01 -42.95 93.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.0 -35.23 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.438 HD21 ' HE2' ' A' ' 109' ' ' PHE . 23.8 tp -62.4 -43.16 99.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.16 -44.85 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.557 ' C ' ' CD1' ' A' ' 126' ' ' PHE . 1.4 t80 -69.76 -38.97 76.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -56.62 -44.83 81.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 33.2 mtt -96.7 -16.48 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 95.61 -28.25 12.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 84.0 mt -51.67 147.37 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -56.86 153.02 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.6 m -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.94 -46.45 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.1 -44.22 87.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.699 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.533 HG12 HD22 ' A' ' 121' ' ' LEU . 66.6 mt -63.65 -43.2 98.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.1 -32.57 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.3 -46.92 84.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -70.0 -42.89 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.07 -40.87 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.91 -45.21 82.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.84 -42.14 97.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -31.74 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.9 m -71.77 -46.57 57.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.24 -18.43 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.35 37.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -40.55 -32.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.536 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.1 mt -137.83 155.75 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 60.9 m -129.37 122.05 28.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -160.69 174.93 37.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.42 147.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.48 132.39 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.62 172.92 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.75 -7.66 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -98.72 21.9 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 44.66 43.69 8.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.431 ' HD3' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -107.22 153.07 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.943 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -107.48 122.18 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.37 115.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.536 ' OH ' HD23 ' A' ' 148' ' ' LEU . 9.6 t80 -107.84 134.47 50.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 44.3 mt -100.25 114.68 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 163' ' ' PRO . 98.6 m -135.4 138.99 30.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.5 m -61.0 137.98 58.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -132.31 -94.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 11.7 t -84.41 92.53 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -77.77 153.22 33.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -51.66 127.12 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.6 p -121.74 166.1 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.78 13.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m -92.0 57.69 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -97.27 83.89 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.78 -37.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.98 -45.07 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.396 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 142' ' ' LEU . 13.3 mt -62.23 -44.78 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -46.07 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -63.77 -36.42 83.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.9 t80 -68.07 -46.64 70.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 113' ' ' ILE . 89.0 mt -60.11 -44.25 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -56.91 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.81 -35.83 77.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.015 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.7 mt -67.54 -41.11 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.74 -50.06 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -71.84 -42.14 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 m -69.93 109.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.75 -44.13 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.8 HG13 ' HE3' ' A' ' 157' ' ' LYS . 99.4 t -127.48 117.75 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.05 123.98 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 120' ' ' LEU . 3.3 mm? -97.26 142.96 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.661 HD13 HG12 ' A' ' 136' ' ' ILE . 18.4 mt -61.94 -40.41 95.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.01 -42.85 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.11 -39.89 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.79 -38.87 89.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.01 -46.32 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -69.97 -43.81 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -56.14 -46.75 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 52.5 mtt -94.97 -9.49 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 86.87 -34.23 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 39.1 mt -48.75 153.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 161.83 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.6 m -64.96 -48.1 75.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -66.83 -43.98 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.95 -48.58 81.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 121' ' ' LEU . 58.3 mt -61.47 -42.62 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -57.45 -32.15 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -63.93 -47.35 80.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -67.79 -48.24 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.05 -37.77 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -42.11 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 106' ' ' LEU . 79.6 mt -69.17 -43.57 73.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 139' ' ' ILE . 64.9 mt -64.11 -32.39 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.6 m -68.67 -46.4 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.24 -17.87 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.22 -18.52 48.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 24.4 m -42.18 -26.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.554 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.4 mt -144.57 152.09 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.8 t -124.88 127.88 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.49 43.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.78 147.91 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.8 mt -114.47 133.08 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.57 171.62 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.22 -8.61 8.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -101.41 22.98 11.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 51.33 25.12 11.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.8 ' HE3' HG13 ' A' ' 118' ' ' VAL . 1.5 tmtp? -86.56 142.05 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.426 ' N ' ' HD3' ' A' ' 157' ' ' LYS . 30.6 t80 -104.46 122.41 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 26.5 mt -120.01 113.51 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.554 ' OH ' HD23 ' A' ' 148' ' ' LEU . 11.4 t80 -107.31 146.75 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 35.1 mt -121.29 101.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 163' ' ' PRO . 82.4 m -98.08 139.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.4 Cg_endo -69.8 115.8 4.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 14.3 m -163.45 153.33 15.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 47.04 -158.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 168' ' ' SER . 85.6 p -83.97 -32.02 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 167' ' ' SER . 88.4 p 37.12 41.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -81.45 165.56 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -100.53 146.12 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.53 -152.46 8.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.1 t -93.04 142.87 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -70.47 -38.26 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.11 -37.08 9.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -55.54 -34.44 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -64.45 -46.29 83.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.77 -34.75 77.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 29.8 t80 -67.93 -43.62 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 HD21 ' A' ' 148' ' ' LEU . 62.2 mt -65.17 -46.78 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -53.82 -44.41 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -61.64 -43.19 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.78 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 55.7 mt -62.72 -37.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 160' ' ' TYR . 32.8 mmtt -65.36 -50.22 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.7 ptmt -66.75 -42.55 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.517 ' HB2' HG22 ' A' ' 119' ' ' VAL . 36.2 p -70.2 114.27 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -61.66 -60.4 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.22 113.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 116' ' ' SER . 13.5 t -117.42 133.22 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.802 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -95.8 135.9 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD22 HG12 ' A' ' 136' ' ' ILE . 31.3 mt -60.66 -42.27 96.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.802 ' H ' HD23 ' A' ' 120' ' ' LEU . 17.3 mt-10 -65.0 -36.01 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -74.98 -35.18 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.624 HD21 ' CE1' ' A' ' 109' ' ' PHE . 41.9 tp -62.16 -39.85 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.27 -46.43 88.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.6 t80 -70.01 -46.95 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -56.0 -46.25 78.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 mtt -96.95 -1.42 45.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.53 -44.46 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.527 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 42.6 mt -41.83 154.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -71.34 151.8 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 25.2 m -55.2 -47.69 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -66.43 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.67 -49.01 79.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.83 92.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.583 HG12 HD22 ' A' ' 121' ' ' LEU . 68.3 mt -60.15 -42.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -55.91 -42.69 76.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -41.95 75.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 124' ' ' LEU . 38.0 mt -62.93 -41.93 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.2 -41.24 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.27 -42.69 96.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.67 -35.52 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 148' ' ' LEU . 11.7 mt -70.97 -31.71 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 86.3 m -67.21 -42.18 84.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.33 -18.33 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 106.87 -22.58 29.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.8 m -40.12 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 143' ' ' LEU . 32.6 mt -145.89 139.07 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 89.9 m -123.63 121.94 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.99 43.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.56 153.88 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 49.6 mt -126.55 119.43 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.79 176.86 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.55 2.41 19.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -91.28 20.33 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.18 39.5 34.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 158' ' ' PHE . 4.8 tppt? -120.92 147.04 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 46.6 t80 -104.46 122.05 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.22 113.03 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 28.8 t80 -97.5 128.44 44.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 46.9 mt -114.24 110.33 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -108.09 141.17 22.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 137.87 36.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.5 m 57.82 31.71 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -106.65 -94.98 2.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -2.34 10.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.1 t -42.28 124.26 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 19.7 m -45.84 130.77 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.0 t -109.06 128.38 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.6 t -141.67 111.97 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 57.17 52.74 49.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.537 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 t -106.64 170.44 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.4 m -40.79 146.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.815 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.63 -61.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -63.57 -37.21 86.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.37 -47.71 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -63.83 -46.27 85.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.87 -36.16 79.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 52.8 t80 -64.76 -42.45 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.402 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 50.7 mt -69.27 -52.51 32.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -55.67 -35.52 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -68.31 -41.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.645 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -62.61 -36.07 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 1.8 mptm? -63.81 -48.74 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -64.55 -42.57 95.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.581 ' HB2' HG22 ' A' ' 119' ' ' VAL . 12.1 p -70.33 102.88 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -48.64 -55.73 10.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 81.3 t -125.82 117.25 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 116' ' ' SER . 16.0 t -116.97 131.77 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.97 141.28 31.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.23 -42.1 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.12 -43.06 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.45 -37.33 71.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 139' ' ' ILE . 35.8 tp -60.25 -39.16 85.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.0 -46.96 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -69.08 -44.66 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 127' ' ' GLN . 1.4 tm0? -55.69 -45.43 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.5 mtt -95.74 -4.29 44.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.29 -42.94 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt -42.32 162.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -78.47 159.58 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.3 m -55.34 -45.5 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -68.98 -38.32 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.27 -48.94 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.03 -41.98 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -56.03 -44.39 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -63.76 -45.37 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 124' ' ' LEU . 62.9 mt -63.1 -43.17 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -56.62 -36.06 69.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -68.27 -35.31 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 148' ' ' LEU . 71.7 mt -70.75 -46.4 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 148' ' ' LEU . 2.2 mm? -63.97 -34.75 78.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.88 -46.41 78.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.02 -16.76 61.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.89 -15.41 61.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 87.0 m -41.1 -32.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 160' ' ' TYR . 35.8 mt -133.72 151.43 51.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.9 t -133.11 127.23 33.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.42 43.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.18 139.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 157' ' ' LYS . 65.9 mt -116.04 119.34 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.52 176.71 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.09 25.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.33 -16.26 14.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.84 41.31 5.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 152' ' ' ILE . 44.6 mtpt -127.86 158.92 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -109.63 126.34 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.0 mt -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.61 ' CE1' HD22 ' A' ' 148' ' ' LEU . 45.0 t80 -108.26 143.7 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 65.4 mt -128.2 150.58 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -161.85 141.18 7.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.59 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.3 t 57.48 29.89 17.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -149.09 177.16 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.7 t -51.01 124.53 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 73.0 m -135.11 137.31 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 m -102.81 105.92 16.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.3 t -60.99 -46.66 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.83 79.84 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.542 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -52.46 130.87 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 t -73.21 119.17 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.44 41.16 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -70.63 -34.13 71.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.32 -47.8 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.3 m -66.27 -46.34 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -67.74 -37.37 82.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.642 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.6 t80 -63.86 -44.78 92.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.787 HG23 HD21 ' A' ' 148' ' ' LEU . 63.7 mt -68.56 -39.94 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -54.19 -44.41 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 116' ' ' SER . 4.1 t80 -62.72 -38.93 92.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.642 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 74.3 mt -67.08 -37.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -65.19 -50.39 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.3 pttt -72.29 -39.1 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.523 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 9.5 t -69.97 107.95 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.75 -48.63 74.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.99 118.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG22 ' OG ' ' A' ' 116' ' ' SER . 13.1 t -117.12 126.74 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 120' ' ' LEU . 3.3 mm? -98.47 144.01 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.59 -40.01 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.97 -43.03 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.99 -37.58 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 109' ' ' PHE . 32.3 tp -61.75 -44.07 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.08 -45.93 92.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -69.0 -41.81 77.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -58.96 -46.02 89.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.1 mtt -100.05 4.18 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 77.83 -47.05 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.54 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 45.1 mt -38.51 153.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.48 157.02 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.8 m -56.58 -47.82 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.43 ' HA ' HD12 ' A' ' 136' ' ' ILE . 73.0 tp60 -67.68 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.07 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 133' ' ' GLN . 62.4 mt -60.02 -41.96 88.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -56.09 -43.8 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.33 83.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.57 -40.0 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -61.08 -40.2 92.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.55 -40.93 84.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.61 -43.03 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 148' ' ' LEU . 32.3 mt -63.94 -33.36 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.5 m -68.34 -44.62 74.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.37 -20.84 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.54 -27.22 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.1 m -36.0 -33.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.787 HD21 HG23 ' A' ' 110' ' ' ILE . 27.7 mt -133.17 145.67 50.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 92.7 m -126.88 122.31 34.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.89 175.02 43.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.19 152.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.68 119.22 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 169.08 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.85 0.1 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -7.65 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.46 34.54 25.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -119.23 151.46 38.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -105.6 124.58 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.22 113.07 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.595 ' OH ' HD23 ' A' ' 148' ' ' LEU . 13.3 t80 -97.84 150.66 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 64.3 mt -113.75 84.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -110.78 141.16 23.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.72 40.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 21.0 t -55.27 170.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 116.92 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 13.9 t -41.62 -54.61 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 t -98.23 156.0 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.7 m -75.79 150.14 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.7 p -46.22 -61.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.86 167.48 54.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.1 p -94.55 79.44 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.818 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.5 p -79.23 121.47 25.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.33 -44.82 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -60.06 -34.73 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 78.8 mt -69.72 -47.38 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 -45.18 81.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.84 -34.17 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.895 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 17.9 t80 -68.8 -48.55 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.727 HG23 HD21 ' A' ' 148' ' ' LEU . 68.1 mt -62.02 -49.94 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.43 -39.9 64.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.8 -44.96 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 35.5 mt -63.22 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.91 -50.17 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -72.05 -42.17 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 m -69.95 113.91 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -58.51 -55.05 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.6 t -127.94 124.46 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.4 t -120.15 125.84 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.774 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -88.05 136.41 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.56 -42.32 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.774 ' H ' HD23 ' A' ' 120' ' ' LEU . 37.0 mt-10 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -74.96 -36.77 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.73 -44.84 96.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -65.98 -36.3 82.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 9.4 t80 -69.97 -50.0 46.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -65.07 -46.82 79.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.0 mtt -89.23 -1.45 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 125' ' ' ALA . . . 75.33 -47.57 2.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.7 mt -36.83 153.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -69.71 155.64 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.6 m -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -63.52 -41.08 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -58.22 -47.24 84.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.95 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 53.7 mt -61.11 -46.81 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.34 -39.73 76.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -63.49 -47.45 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.539 HG21 ' CE1' ' A' ' 158' ' ' PHE . 39.1 mt -63.64 -47.68 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.46 -38.8 72.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.39 -46.95 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 158' ' ' PHE . 92.6 mt -65.39 -36.03 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.4 m -68.25 -43.15 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.51 -18.9 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.89 -26.23 24.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 47.8 m -38.44 -34.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.727 HD21 HG23 ' A' ' 110' ' ' ILE . 29.4 mt -135.17 155.07 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.4 p -128.86 123.5 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.98 172.66 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.49 151.9 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 89.1 mt -123.43 125.97 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.5 175.73 7.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.06 -18.73 65.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -86.29 -2.14 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 70.97 31.58 66.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -88.92 147.32 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.613 ' HE2' HG21 ' A' ' 113' ' ' ILE . 6.0 t80 -104.26 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 48.7 mt -133.09 113.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.565 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -101.83 136.52 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 20.0 mt -114.72 79.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 163' ' ' PRO . 84.5 m -71.0 139.25 85.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 162' ' ' THR . 54.0 Cg_endo -69.8 102.99 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 165' ' ' GLY . 67.0 p -155.68 154.17 31.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 164' ' ' SER . . . -36.84 153.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 101.8 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 59.4 p -134.62 135.82 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 20.3 m -92.15 -53.47 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.532 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 94.9 p 38.61 41.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 m -115.32 113.71 24.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.814 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.47 170.0 3.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.5 p -98.52 95.23 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.9 p -119.15 174.28 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.19 -38.22 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HE2' HD11 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -63.87 -41.69 97.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 107' ' ' THR . 3.9 pp -70.24 -43.22 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 106' ' ' LEU . 43.0 m -66.36 -46.44 76.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -38.69 83.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.678 ' HE1' HD11 ' A' ' 124' ' ' LEU . 32.2 t80 -66.04 -48.79 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.55 -46.01 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -55.32 -36.52 66.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.86 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 109' ' ' PHE . 67.3 mt -67.25 -40.76 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -53.85 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -72.14 -42.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.2 m -70.01 101.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.63 -44.91 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.3 119.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.01 133.06 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -98.6 137.73 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 158' ' ' PHE . 20.8 mt -68.02 -42.04 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.0 -43.09 93.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.09 -38.78 61.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD11 ' HE1' ' A' ' 109' ' ' PHE . 15.4 tp -62.18 -39.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -46.95 88.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.93 -42.36 73.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.433 ' C ' ' CD ' ' A' ' 127' ' ' GLN . 1.8 tm0? -55.81 -47.01 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.2 mtt -95.2 -5.04 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 83.44 -37.33 2.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 105' ' ' PHE . 37.9 mt -45.03 161.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -76.27 153.31 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.1 m -57.17 -43.53 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.83 -44.85 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.55 -49.03 78.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.48 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.659 HG12 HD22 ' A' ' 121' ' ' LEU . 66.8 mt -61.07 -50.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.29 -36.87 81.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -68.56 -37.29 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 124' ' ' LEU . 49.8 mt -69.56 -49.08 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.456 ' HA ' HD13 ' A' ' 143' ' ' LEU . 10.4 mm100 -55.44 -34.37 64.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.29 -32.76 73.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.95 -36.54 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 140' ' ' GLN . 4.3 mp -63.94 -33.21 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.7 m -66.91 -38.44 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -80.73 10.56 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.68 20.26 69.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.9 m -80.12 -38.07 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 160' ' ' TYR . 54.1 mt -134.19 147.27 50.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.0 m -126.07 121.96 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -169.01 174.81 43.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.86 144.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 71.2 mt -110.87 115.6 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -76.33 177.74 7.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.16 13.62 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -95.54 -0.35 52.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.49 43.42 86.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -130.6 161.2 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.703 ' HB2' HD21 ' A' ' 121' ' ' LEU . 15.3 t80 -104.06 122.0 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.05 113.41 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 148' ' ' LEU . 72.4 t80 -110.95 137.33 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.02 120.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -131.21 141.13 40.76 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.581 0.705 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 177.08 5.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.4 m 48.94 32.13 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -76.71 146.26 32.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.68 8.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.1 t -47.08 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.7 t -109.82 138.63 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.9 m -94.87 139.82 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -124.22 153.57 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.31 81.64 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -103.23 -58.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -57.65 127.01 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.05 -52.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 130' ' ' LEU . 20.1 t80 -55.16 -43.5 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.04 -46.93 82.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.2 m -62.21 -46.24 89.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.28 -40.46 86.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 113' ' ' ILE . 5.0 t80 -65.69 -42.05 91.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 148' ' ' LEU . 82.8 mt -68.93 -44.68 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.5 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -66.6 -35.11 79.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 109' ' ' PHE . 56.6 mt -68.19 -45.03 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HE2' HG22 ' A' ' 110' ' ' ILE . 27.2 mttt -54.33 -50.1 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -72.14 -41.96 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.1 m -69.89 97.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -43.89 -49.61 8.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.2 t -128.01 135.34 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.57 126.02 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.28 143.95 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.69 HD22 HG12 ' A' ' 136' ' ' ILE . 19.7 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -36.42 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 109' ' ' PHE . 48.2 tp -61.99 -37.79 86.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.97 -46.86 76.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.9 t80 -70.01 -39.71 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.09 -46.92 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.5 mtt -103.4 -1.89 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.37 -36.42 2.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 105' ' ' PHE . 44.5 mt -40.59 153.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -64.75 151.51 45.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 24.0 m -56.47 -48.83 76.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.73 -39.0 90.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.42 -48.87 79.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.69 HG12 HD22 ' A' ' 121' ' ' LEU . 65.3 mt -60.67 -42.42 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.89 -38.77 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -66.55 -39.8 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.53 -48.48 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.21 -38.54 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -68.62 -46.53 69.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.45 -36.71 85.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 148' ' ' LEU . 38.4 mt -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.9 m -69.43 -40.07 77.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -74.52 -20.52 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.8 -18.83 45.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.2 m -45.09 -27.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.737 ' O ' HD23 ' A' ' 143' ' ' LEU . 23.1 mt -139.59 143.8 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 34.5 m -116.97 122.38 44.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.14 174.55 42.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.74 149.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.84 129.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -94.23 176.41 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.88 0.1 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -105.08 23.8 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.01 42.75 6.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -109.28 148.71 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.609 ' HE1' HD11 ' A' ' 143' ' ' LEU . 12.9 t80 -106.66 123.81 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.0 mt -121.64 115.5 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.647 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -108.94 141.19 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 54.5 mt -118.61 100.86 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 1.6 m -109.09 136.66 20.07 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.7 Cg_endo -69.83 118.87 5.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.7 m -157.78 138.67 13.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.05 -158.15 32.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 171.41 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 89.6 p -49.59 160.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 49.1 m -161.04 137.7 8.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 t -90.7 158.76 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -50.87 -52.97 36.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.22 -112.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t 38.67 37.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -87.54 -63.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.49 52.02 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.64 -35.49 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' H ' ' A' ' 106' ' ' LEU . 4.5 mp -70.27 -45.85 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.0 m -58.82 -46.38 87.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 12.5 pt-20 -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.739 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 26.6 t80 -64.1 -46.52 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.12 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -53.45 -41.59 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.96 -37.62 86.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.739 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.5 mt -68.06 -39.13 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.96 -50.19 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -72.21 -42.26 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -70.07 103.08 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -60.77 -35.54 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 94.9 t -128.05 112.27 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.1 t -117.79 124.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.97 142.22 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.552 HD13 HG12 ' A' ' 136' ' ' ILE . 36.0 mt -68.07 -41.98 81.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.99 -42.36 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.28 -40.44 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.638 HD21 ' CE1' ' A' ' 109' ' ' PHE . 51.4 tp -56.13 -41.65 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -44.66 97.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -56.52 -46.28 80.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 36.6 mtt -101.98 -6.79 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 88.96 -37.82 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 134' ' ' ASP . 96.8 mt -38.32 152.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -65.15 153.93 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.1 m -55.52 -47.08 76.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -68.95 -43.26 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 130' ' ' LEU . 19.3 t70 -59.09 -47.89 83.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -61.83 -45.73 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 121' ' ' LEU . 76.1 mt -60.89 -42.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -55.91 -33.72 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -63.7 -47.68 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.4 mp -67.58 -42.36 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -56.06 -40.91 74.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -68.81 -41.21 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.36 -46.53 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 148' ' ' LEU . 32.0 mt -64.79 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.8 m -68.04 -39.32 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.36 -20.17 59.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 106.47 -28.71 12.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.3 m -36.02 -36.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.336 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 160' ' ' TYR . 33.4 mt -133.34 156.25 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.6 p -132.66 122.97 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.37 174.8 38.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.2 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 80.2 mt -123.67 134.89 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -99.42 173.56 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -56.46 -14.69 3.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -94.67 23.95 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 45.27 28.4 2.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -87.92 140.46 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -107.58 122.53 46.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 56.2 mt -117.56 116.51 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.591 ' CE1' HD22 ' A' ' 148' ' ' LEU . 58.7 t80 -104.87 120.04 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.4 mt -78.73 115.59 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -167.95 141.16 2.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.566 0.698 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 108.79 2.15 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.5 m -103.26 104.68 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -40.97 -83.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.5 t 42.49 40.84 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.7 t -109.7 87.34 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.455 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.7 p -105.53 167.1 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.6 m -132.6 103.19 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.68 -156.25 8.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -64.34 -44.45 91.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -75.7 130.88 39.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 168.35 -46.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.1 -33.15 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.681 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.9 mp -69.08 -46.68 67.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -65.21 -45.88 82.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.29 -34.08 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 4.0 t80 -68.03 -48.51 65.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.75 -39.02 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -54.95 -33.65 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -65.5 -46.23 80.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 59.7 mt -66.86 -43.66 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.95 -47.61 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -71.05 -42.19 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -70.12 -174.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -125.96 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.47 110.63 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.99 125.84 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -97.95 144.1 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 23.1 mt -55.85 -42.17 75.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.8 tt0 -64.96 -42.98 94.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.58 -40.02 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.38 -43.44 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.84 -46.58 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 3.8 t80 -68.19 -42.42 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.04 -46.34 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.0 mtt -91.71 -3.98 55.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.83 -38.46 3.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.483 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 31.9 mt -45.88 159.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -75.1 158.28 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.3 m -62.36 -46.72 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.94 -37.4 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -48.95 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.05 98.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 68.1 mt -60.01 -42.15 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -56.93 -43.92 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -45.36 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.46 ' O ' HD23 ' A' ' 143' ' ' LEU . 28.2 mt -60.17 -45.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -56.0 -39.32 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.42 -35.51 81.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.58 -50.09 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 148' ' ' LEU . 4.1 mm? -64.07 -31.91 73.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 36.8 m -69.46 -47.55 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.63 -20.19 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.6 -22.34 30.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.9 m -38.29 -35.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.757 HD22 ' CE1' ' A' ' 160' ' ' TYR . 44.9 mt -134.25 151.49 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 69.2 p -128.7 122.3 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.38 175.0 43.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.38 158.45 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 92.0 mt -126.48 133.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -102.87 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -49.53 -22.55 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -89.09 21.98 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.28 36.23 2.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.36 144.23 26.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -103.93 135.72 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.26 114.34 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.757 ' CE1' HD22 ' A' ' 148' ' ' LEU . 15.7 t80 -105.81 133.15 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.96 108.57 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -133.72 141.15 38.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.533 0.683 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 9.0 t -101.67 -47.54 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 156.06 -87.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.35 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 67.9 m -96.92 162.34 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 44.2 p -143.4 151.11 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.7 p -158.51 134.39 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 m -103.18 137.09 41.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.19 -107.37 2.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.9 t -57.7 145.02 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.8 t -127.12 -50.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.17 -38.25 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.54 -39.05 86.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.24 -47.02 81.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.2 m -65.91 -44.6 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.27 -33.36 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.6 t80 -66.48 -44.48 82.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.8 -46.21 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -55.87 -39.56 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -64.79 -39.85 94.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.691 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 70.9 mt -64.91 -37.6 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -58.11 -50.14 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -72.07 -41.92 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -69.99 111.64 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' VAL . 14.9 ptpt -67.89 -41.44 82.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 90.2 t -127.98 114.82 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.1 t -117.12 126.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD13 ' HD3' ' A' ' 157' ' ' LYS . 51.4 tp -98.21 134.57 41.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.673 HD22 HG12 ' A' ' 136' ' ' ILE . 26.1 mt -59.92 -41.82 92.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.27 -42.94 99.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.85 -30.91 61.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.03 -46.81 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.51 -41.5 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -69.93 -43.8 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.99 -45.87 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.9 mtt -94.35 -5.16 47.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.71 -42.61 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.557 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 61.7 mt -39.24 150.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -60.68 160.62 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 89.5 m -62.42 -48.93 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -67.42 -38.53 84.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -47.73 84.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.85 -44.45 93.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.673 HG12 HD22 ' A' ' 121' ' ' LEU . 87.0 mt -62.19 -42.32 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -56.89 -32.28 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 3.9 mmm180 -65.22 -48.97 71.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 135' ' ' ALA . 4.9 mp -63.45 -38.88 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -55.98 -43.27 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.4 -34.64 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.914 HD13 HD12 ' A' ' 148' ' ' LEU . 26.0 mt -69.8 -48.81 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 148' ' ' LEU . 3.0 mm? -65.74 -32.62 74.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 96.1 m -71.52 -40.93 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -78.45 -20.88 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.16 -22.92 33.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 88.0 m -38.5 -39.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.164 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 142' ' ' LEU . 20.2 mt -130.09 150.99 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.9 m -128.84 126.84 40.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' HD11 ' A' ' 143' ' ' LEU . . . -166.55 174.92 42.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.4 m -127.28 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 64.0 mt -112.61 133.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -97.34 170.99 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -12.41 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -93.47 23.46 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.67 35.76 4.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.467 ' HD3' HD13 ' A' ' 120' ' ' LEU . 20.8 mmmt -100.07 145.99 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.54 122.85 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.0 114.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -104.87 138.9 40.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.51 142.51 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -166.51 141.15 3.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.66 3.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.0 m -40.0 119.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -118.93 -159.45 11.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.36 3.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 168' ' ' SER . 28.8 m -41.32 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 167' ' ' SER . 26.8 m -35.15 138.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.6 p 43.96 41.98 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.7 p -105.76 43.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.9 93.56 1.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 p -44.91 -30.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -173.29 112.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.21 55.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.434 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -69.02 -47.73 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -66.34 -46.31 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.68 -33.08 74.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 50.5 t80 -64.34 -43.5 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 148' ' ' LEU . 57.8 mt -69.27 -38.09 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -53.03 -27.82 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.6 -43.7 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 23.8 mt -68.41 -45.58 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' A' ' 110' ' ' ILE . 1.8 mmmm -54.03 -50.17 67.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.19 -42.13 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -70.08 116.38 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.41 -52.52 64.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -127.38 117.46 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.36 134.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.9 tp -98.71 141.13 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.4 mt -64.1 -42.02 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.96 -43.01 94.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.01 -34.9 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 139' ' ' ILE . 61.6 tp -60.36 -37.52 80.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.71 -46.97 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -69.48 -39.78 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.3 -46.71 72.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.4 mtt -99.05 -6.96 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.16 -36.03 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 mt -42.45 165.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -77.54 155.8 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.0 m -56.73 -48.03 78.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -67.87 -40.84 83.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.95 -47.41 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.51 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 50.0 mt -60.47 -42.03 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -55.95 -40.26 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -66.12 -47.36 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.621 HD11 ' CD2' ' A' ' 124' ' ' LEU . 44.3 mt -62.72 -46.96 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -57.06 -40.32 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.8 -45.2 83.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.61 -45.13 84.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 148' ' ' LEU . 25.6 mt -64.73 -36.3 83.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.0 m -62.09 -45.83 91.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.04 -19.07 62.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.36 -15.68 42.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.8 m -42.48 -29.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 160' ' ' TYR . 55.3 mt -142.52 157.6 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 37.5 p -133.8 122.94 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.88 172.2 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.87 151.68 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.3 mt -110.57 132.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.43 174.04 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.55 -9.75 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -97.9 19.44 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.67 28.07 14.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -93.29 144.06 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 143' ' ' LEU . 16.6 t80 -105.86 122.61 46.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.2 mt -113.02 119.03 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' TYR . . . . . 0.758 ' CE1' HD22 ' A' ' 148' ' ' LEU . 74.4 t80 -107.73 124.39 49.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.0 mt -97.59 97.71 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 163' ' ' PRO . 82.9 m -76.4 139.22 67.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.4 Cg_endo -69.81 148.0 63.79 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.1 p -114.12 -36.52 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 103.09 -158.85 17.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 15.4 t -164.31 154.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 89.0 p -120.53 143.74 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.02 -46.94 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 m -65.57 -46.11 80.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.62 -36.12 80.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 5.4 t80 -64.51 -40.64 96.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.447 ' HA ' HD12 ' A' ' 113' ' ' ILE . 76.7 mt -68.33 -45.04 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -59.4 -35.28 73.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.21 -37.96 86.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.632 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 mt -65.69 -44.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.6 mptm? -55.22 -49.93 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -69.34 -42.06 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.7 m -69.99 116.13 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -63.34 -54.94 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.8 t -121.43 117.84 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.84 126.16 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 tp -98.43 143.9 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.8 mt -65.56 -41.93 92.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -64.98 -42.85 94.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.6 -34.92 65.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD2' HD11 ' A' ' 139' ' ' ILE . 33.8 tp -56.7 -46.85 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.95 -35.61 81.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.21 -49.71 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 128' ' ' MET . 14.3 pt20 -64.85 -42.86 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.476 ' N ' ' HG3' ' A' ' 127' ' ' GLN . 11.0 mtt -86.49 -5.98 59.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.42 -39.88 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.654 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 29.9 mt -46.3 171.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -86.28 155.75 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 136' ' ' ILE . 93.8 m -55.97 -48.98 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.76 -43.65 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.67 -47.54 84.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.44 93.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.489 ' CD1' HG22 ' A' ' 132' ' ' THR . 62.9 mt -61.07 -43.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.34 -41.14 75.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -67.54 -41.3 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 143' ' ' LEU . 21.9 mt -66.61 -45.15 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.445 ' NE2' HG22 ' A' ' 136' ' ' ILE . 25.1 mt-30 -62.5 -39.76 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -45.95 80.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.1 -38.18 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 148' ' ' LEU . 56.2 mt -71.01 -30.99 67.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 73.0 m -68.24 -41.87 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -74.79 -15.13 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.26 -21.58 42.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 42.6 m -40.94 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 143' ' ' LEU . 34.8 mt -139.93 147.24 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 74.9 p -121.76 122.97 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.68 39.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.38 151.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.07 134.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -97.11 176.65 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -10.62 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -97.61 21.56 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . 0.824 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 43.37 40.0 4.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HD2' HD11 ' A' ' 159' ' ' ILE . 12.6 ptpt -102.01 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.51 ' CE1' HD11 ' A' ' 143' ' ' LEU . 14.8 t80 -106.08 124.2 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.665 HD11 ' HD2' ' A' ' 157' ' ' LYS . 47.7 mt -123.0 115.63 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.609 ' OH ' HD23 ' A' ' 148' ' ' LEU . 5.2 t80 -101.79 131.55 48.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.01 -47.04 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 m -61.78 -46.22 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.81 -34.01 75.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 14.3 t80 -69.31 -40.76 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.56 HG23 HD21 ' A' ' 148' ' ' LEU . 76.7 mt -69.31 -45.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -53.5 -41.95 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.32 -39.14 93.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.633 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 53.8 mt -68.32 -37.92 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -57.17 -50.23 73.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -72.04 -42.26 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 m -70.01 114.62 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -67.49 -46.13 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -127.87 115.51 39.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.0 137.36 51.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 mp -98.94 141.84 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.99 -41.81 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.98 -42.93 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.61 -39.27 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.549 HD11 ' HE1' ' A' ' 109' ' ' PHE . 23.8 tp -56.75 -41.13 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.68 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.93 -43.16 99.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.85 -43.22 75.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -54.0 -46.58 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.4 mtt -98.37 -5.22 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.81 -41.82 3.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.68 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 23.0 mt -41.69 156.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -72.74 158.02 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.9 m -57.31 -47.09 82.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -65.43 -36.74 84.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -61.47 -44.87 96.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.29 -42.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -56.14 -43.74 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -64.62 -41.19 96.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.85 -42.53 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.37 -40.33 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -45.61 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.05 -41.3 91.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 148' ' ' LEU . 45.9 mt -64.49 -33.39 75.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.9 m -68.54 -40.14 80.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.89 -20.51 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.51 -27.19 19.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 146' ' ' GLY . 90.8 m -36.22 -34.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 143' ' ' LEU . 43.7 mt -135.58 139.29 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 82.0 p -114.52 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.36 172.68 42.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.58 158.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.301 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.95 128.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 176.58 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 154' ' ' ASP . 1.1 t70 -70.94 -1.77 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -98.13 -4.17 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 73.95 27.99 65.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -94.64 155.61 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.7 125.73 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.11 113.9 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.615 ' OH ' HD23 ' A' ' 148' ' ' LEU . 17.9 t80 -109.01 143.82 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.769 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.1 mp -68.26 -47.78 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.3 m -64.27 -46.32 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -65.79 -36.45 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 13.0 t80 -67.14 -48.74 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.34 -47.74 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -53.62 -44.4 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -61.62 -37.85 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 81.5 mt -65.27 -42.73 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -57.79 -49.27 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -71.92 -42.13 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.5 m -70.0 100.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.09 -47.79 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.96 116.95 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.44 130.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.74 140.04 32.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.4 mt -64.96 -41.94 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -64.97 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -72.72 -32.71 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 109' ' ' PHE . 27.1 tp -62.23 -37.28 84.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.06 -46.97 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -70.04 -40.09 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.03 -47.01 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 41.8 mtt -103.13 -1.9 28.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 85.73 -43.4 3.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.485 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 32.2 mt -37.94 143.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 131' ' ' ARG . 2.4 mpt_? -62.38 157.92 18.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.6 m -59.02 -41.76 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.22 -41.13 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.0 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.76 -43.79 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -57.64 -44.29 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.07 -43.22 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.58 -37.08 70.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.96 -35.07 79.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.803 HD13 HD12 ' A' ' 148' ' ' LEU . 83.4 mt -69.23 -42.05 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 148' ' ' LEU . 2.4 mm? -71.96 -31.91 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 71.7 m -69.33 -40.86 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -77.66 -19.68 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.88 45.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.6 m -40.15 -40.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 142' ' ' LEU . 46.0 mt -127.15 139.01 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.7 p -115.57 124.54 51.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.48 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.73 145.17 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.82 133.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.34 172.24 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -58.66 -22.92 58.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -84.4 -11.32 56.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 79.66 38.64 19.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.69 146.12 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -104.25 122.36 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.85 113.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.604 ' CE1' HD22 ' A' ' 148' ' ' LEU . 21.7 t80 -95.47 123.58 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 mt -70.17 -47.82 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 79.8 m -64.99 -46.31 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.85 -33.43 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -70.12 -46.46 64.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.3 mt -66.22 -42.15 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.05 -44.47 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.73 -37.46 84.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 61.3 mt -66.95 -37.42 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -64.06 -50.14 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.9 ptpt -71.76 -42.22 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 118' ' ' VAL . 58.8 m -70.01 74.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -34.88 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' SER . 49.1 t -128.03 119.01 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.58 124.13 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.08 138.8 34.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 136' ' ' ILE . 12.7 mt -67.84 -41.98 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -64.98 -42.89 94.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -40.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.504 HD21 ' HE1' ' A' ' 109' ' ' PHE . 41.1 tp -56.06 -41.01 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -59.96 -46.45 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.87 -40.73 75.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 8.0 mm-40 -54.36 -46.97 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 34.0 mtt -105.05 5.17 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.27 -43.87 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.2 mt -37.44 155.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.29 152.87 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.9 m -55.11 -45.42 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 26.2 tp60 -68.47 -43.16 77.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -45.13 87.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.06 95.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 91.0 mt -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 133' ' ' GLN . 1.1 m120 -55.98 -41.53 74.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -66.85 -48.41 68.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 mt -61.66 -42.29 93.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -58.61 -40.36 83.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -43.15 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.15 -40.09 90.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 148' ' ' LEU . 55.8 mt -69.27 -36.57 77.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.3 m -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.35 -20.06 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.48 -25.72 23.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.4 m -41.65 -27.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 160' ' ' TYR . 73.4 mt -141.83 151.29 42.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.2 t -134.48 126.9 30.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.82 174.64 43.42 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.58 152.4 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.51 119.24 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.02 173.8 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -77.12 7.41 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -92.28 9.84 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 59.43 39.86 95.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -126.71 155.23 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -105.98 130.56 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.97 114.07 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.619 ' CE1' HD22 ' A' ' 148' ' ' LEU . 41.5 t80 -96.45 143.36 27.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 130' ' ' LEU . 3.1 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.04 -47.84 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m -66.29 -46.3 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.85 -35.2 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.0 t80 -64.22 -45.16 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 96.8 mt -65.53 -44.88 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 76.7 mt -67.34 -45.13 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.2 mptm? -54.65 -50.17 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -72.09 -42.15 66.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.7 m -70.0 107.34 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.87 -45.82 92.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.7 115.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.08 124.48 73.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.35 141.66 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.764 HD22 HG12 ' A' ' 136' ' ' ILE . 19.2 mt -67.86 -41.98 82.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.99 -43.04 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -74.95 -33.78 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.77 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.27 -45.3 85.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.63 -49.97 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -55.79 -45.28 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 mtt -90.63 -7.82 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.19 -38.99 2.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE1' ' A' ' 105' ' ' PHE . 47.1 mt -44.54 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -71.37 159.58 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.1 m -60.86 -47.11 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -68.99 -47.2 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.1 -44.83 87.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.4 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.764 HG12 HD22 ' A' ' 121' ' ' LEU . 77.5 mt -60.26 -42.01 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -56.08 -32.04 63.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -60.54 -45.77 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 158' ' ' PHE . 4.1 mp -69.59 -47.36 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.87 -41.25 95.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.67 -43.46 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.37 -36.84 82.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 148' ' ' LEU . 33.2 mt -67.35 -35.54 79.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.9 m -66.53 -42.21 87.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.69 -14.14 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 96.02 -23.09 36.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 146' ' ' GLY . 35.1 m -35.32 -43.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 143' ' ' LEU . 37.9 mt -128.23 150.31 50.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.5 m -126.15 123.22 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -159.62 173.96 36.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.57 140.42 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 157' ' ' LYS . 62.1 mt -121.87 126.38 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -79.44 177.92 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.67 28.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -106.37 -15.98 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.26 41.4 6.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 152' ' ' ILE . 32.3 ttmt -130.9 157.06 43.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE1' HG21 ' A' ' 139' ' ' ILE . 16.3 t80 -104.9 124.31 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 76.5 mt -126.3 113.8 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.418 ' CE1' HD22 ' A' ' 148' ' ' LEU . 39.0 t80 -102.95 133.61 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.0 -47.53 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 111' ' ' ASN . 31.9 m -66.2 -46.26 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.76 -35.97 81.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.604 ' HE1' HD11 ' A' ' 124' ' ' LEU . 23.9 t80 -69.49 -45.04 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.44 -42.34 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 107' ' ' THR . 60.7 m-20 -62.82 -32.34 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.86 -34.0 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.419 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 94.7 mt -65.14 -47.15 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -71.38 -42.13 68.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG22 ' A' ' 119' ' ' VAL . 19.3 m -69.93 94.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -45.0 -59.5 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.6 t -119.24 117.98 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 124' ' ' LEU . 58.7 t -117.03 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.61 142.81 26.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 156' ' ' GLY . 14.5 mt -63.17 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.77 -42.77 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -31.53 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.604 HD11 ' HE1' ' A' ' 109' ' ' PHE . 28.2 tp -62.79 -46.68 86.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -69.63 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -55.78 -46.38 77.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.6 mtt -99.22 -4.56 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.39 -43.0 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 30.0 mt -40.94 151.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -66.15 157.18 31.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 21.8 m -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.68 -45.82 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.1 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.513 HG12 HD22 ' A' ' 121' ' ' LEU . 67.3 mt -61.73 -42.08 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -56.05 -40.07 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -62.46 -46.51 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 124' ' ' LEU . 50.3 mt -61.44 -44.69 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.24 -36.85 68.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 145' ' ' GLU . 5.1 m-20 -68.14 -37.38 81.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.509 HD13 HD12 ' A' ' 148' ' ' LEU . 66.3 mt -69.96 -49.02 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 139' ' ' ILE . 4.0 mm? -64.08 -39.28 93.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -41.63 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 8.3 mm-40 -73.36 -17.34 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.15 63.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 m -55.77 -34.27 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 160' ' ' TYR . 40.4 mt -134.35 163.23 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.1 p -134.16 125.87 28.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.54 175.0 39.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.64 148.94 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 94.0 mt -117.75 134.23 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.84 172.03 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.09 -17.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -92.5 18.47 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . 0.57 ' O ' HD11 ' A' ' 121' ' ' LEU . . . 44.16 37.4 4.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 158' ' ' PHE . 3.1 ttmp? -96.19 147.47 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 157' ' ' LYS . 42.4 t80 -110.46 127.7 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.89 115.73 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.68 ' CE1' HD22 ' A' ' 148' ' ' LEU . 49.7 t80 -100.91 122.83 44.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.9 -46.02 72.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.2 m -65.88 -46.22 79.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -37.51 82.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.615 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.7 t80 -64.2 -42.35 96.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 113' ' ' ILE . 80.6 mt -68.28 -40.84 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -54.4 -44.45 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 115' ' ' LYS . 51.5 t80 -61.7 -36.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -65.72 -41.08 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -60.12 -50.22 74.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 8.4 ptmm? -70.97 -42.04 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 4.1 t -69.92 115.01 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -65.52 -45.81 82.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.99 114.67 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 13.3 t -118.39 124.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.96 142.81 29.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 19.1 mt -63.91 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.99 -42.88 94.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.4 -38.67 63.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 135' ' ' ALA . 51.4 tp -57.81 -39.23 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.15 -46.55 88.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -70.0 -40.21 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -54.95 -46.97 75.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 55.9 mtt -100.01 -6.6 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.7 -37.53 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.412 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 72.5 mt -42.8 160.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -73.61 158.08 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.3 m -59.41 -47.9 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.11 -41.94 97.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 -45.45 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -65.31 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 56.0 mt -60.65 -45.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.28 -38.59 74.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -64.9 -48.66 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.69 -43.59 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.45 -41.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.59 -41.93 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.53 -37.89 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 148' ' ' LEU . 24.9 mt -70.23 -33.11 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.1 m -70.64 -42.76 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -69.8 -19.75 63.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.71 -23.41 31.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 55.9 m -37.9 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 143' ' ' LEU . 35.5 mt -127.05 150.71 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 53.9 m -125.75 122.36 36.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.69 39.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.4 147.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.46 133.67 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -99.28 171.73 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -11.25 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -90.3 21.0 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.57 51.86 6.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.532 ' NZ ' HD11 ' A' ' 159' ' ' ILE . 4.2 ptmm? -121.99 146.45 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.62 122.63 46.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.532 HD11 ' NZ ' ' A' ' 157' ' ' LYS . 45.3 mt -118.36 115.66 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.475 ' OH ' HD23 ' A' ' 148' ' ' LEU . 8.9 t80 -105.21 135.21 46.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 107' ' ' THR . 4.0 pp -62.62 -42.56 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 106' ' ' LEU . 69.7 m -66.23 -46.36 77.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.84 -33.21 74.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.2 t80 -66.73 -44.08 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.692 HG12 HD11 ' A' ' 148' ' ' LEU . 66.5 mt -66.74 -45.93 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -54.25 -42.45 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.93 -40.92 99.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.765 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 46.5 mt -66.0 -39.78 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -55.32 -50.25 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -72.09 -42.24 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -69.96 117.87 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.77 -55.71 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.45 120.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.8 125.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.94 143.97 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 132' ' ' THR . 24.6 mt -67.46 -35.34 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.0 -43.03 93.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.04 -36.97 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.07 -41.75 97.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.13 -46.99 86.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 6.3 t80 -68.8 -41.56 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.1 -46.99 84.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.6 mtt -98.27 -0.47 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 82.48 -43.01 2.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 22.4 mt -44.01 161.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.32 154.88 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 121' ' ' LEU . 38.7 m -57.16 -48.83 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.95 -45.09 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -45.73 87.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.83 98.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 121' ' ' LEU . 55.5 mt -60.07 -42.04 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.94 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 mt -60.84 -39.32 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.85 -41.98 92.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.81 -36.16 82.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 139' ' ' ILE . 48.8 mt -67.87 -41.31 83.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 148' ' ' LEU . 74.3 mt -70.34 -38.05 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.4 m -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.58 -18.4 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.75 -24.46 30.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.6 m -39.62 -34.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 111.198 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.692 HD11 HG12 ' A' ' 110' ' ' ILE . 39.7 mt -135.25 152.33 51.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' A' ' 160' ' ' TYR . 3.1 t -134.03 129.13 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.42 174.62 43.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.06 139.14 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 157' ' ' LYS . 68.0 mt -119.45 119.14 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.91 177.8 5.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.14 21.73 1.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -102.89 -15.52 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.32 39.93 7.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' ' 152' ' ' ILE . 0.7 OUTLIER -127.55 156.79 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -105.7 129.04 54.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 57.2 mt -128.85 113.84 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 149' ' ' THR . 6.5 t80 -109.04 145.61 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 16.2 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.924 0.393 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.616 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.9 mp -69.48 -47.79 62.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -64.2 -46.22 84.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.82 -34.72 77.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 113' ' ' ILE . 6.8 t80 -63.66 -46.99 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.545 HG22 ' NZ ' ' A' ' 114' ' ' LYS . 33.5 mt -67.17 -41.52 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -53.45 -28.54 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -75.99 -33.8 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 109' ' ' PHE . 88.6 mt -64.77 -42.75 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.545 ' NZ ' HG22 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -53.96 -50.2 67.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -72.07 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 119' ' ' VAL . 3.5 t -70.01 106.26 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -59.43 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.98 114.98 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.548 HG22 ' OG ' ' A' ' 116' ' ' SER . 11.8 t -117.18 130.78 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.431 ' CD1' ' HD3' ' A' ' 157' ' ' LYS . 23.4 tp -98.98 143.32 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 136' ' ' ILE . 8.9 mt -66.54 -42.02 87.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.01 -42.95 93.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.0 -35.23 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.438 HD21 ' HE2' ' A' ' 109' ' ' PHE . 23.8 tp -62.4 -43.16 99.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.16 -44.85 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.557 ' C ' ' CD1' ' A' ' 126' ' ' PHE . 1.4 t80 -69.76 -38.97 76.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -56.62 -44.83 81.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 33.2 mtt -96.7 -16.48 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 95.61 -28.25 12.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 84.0 mt -51.67 147.37 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -56.86 153.02 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.6 m -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.94 -46.45 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.1 -44.22 87.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.699 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.533 HG12 HD22 ' A' ' 121' ' ' LEU . 66.6 mt -63.65 -43.2 98.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.1 -32.57 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.3 -46.92 84.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -70.0 -42.89 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.07 -40.87 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.91 -45.21 82.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.84 -42.14 97.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -31.74 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.9 m -71.77 -46.57 57.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.24 -18.43 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.35 37.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -40.55 -32.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.536 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.1 mt -137.83 155.75 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 60.9 m -129.37 122.05 28.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -160.69 174.93 37.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.42 147.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.48 132.39 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.62 172.92 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.75 -7.66 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -98.72 21.9 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 44.66 43.69 8.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.431 ' HD3' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -107.22 153.07 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.943 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -107.48 122.18 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.37 115.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.536 ' OH ' HD23 ' A' ' 148' ' ' LEU . 9.6 t80 -107.84 134.47 50.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.933 0.396 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 142' ' ' LEU . 13.3 mt -62.23 -44.78 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -46.07 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -63.77 -36.42 83.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.9 t80 -68.07 -46.64 70.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 113' ' ' ILE . 89.0 mt -60.11 -44.25 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -56.91 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.81 -35.83 77.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.015 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.7 mt -67.54 -41.11 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.74 -50.06 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -71.84 -42.14 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 m -69.93 109.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.75 -44.13 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.8 HG13 ' HE3' ' A' ' 157' ' ' LYS . 99.4 t -127.48 117.75 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.05 123.98 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 120' ' ' LEU . 3.3 mm? -97.26 142.96 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.661 HD13 HG12 ' A' ' 136' ' ' ILE . 18.4 mt -61.94 -40.41 95.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.01 -42.85 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.11 -39.89 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.79 -38.87 89.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.01 -46.32 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -69.97 -43.81 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -56.14 -46.75 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 52.5 mtt -94.97 -9.49 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 86.87 -34.23 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 39.1 mt -48.75 153.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 161.83 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.6 m -64.96 -48.1 75.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -66.83 -43.98 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.95 -48.58 81.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 121' ' ' LEU . 58.3 mt -61.47 -42.62 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -57.45 -32.15 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -63.93 -47.35 80.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -67.79 -48.24 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.05 -37.77 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -42.11 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 106' ' ' LEU . 79.6 mt -69.17 -43.57 73.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 139' ' ' ILE . 64.9 mt -64.11 -32.39 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.6 m -68.67 -46.4 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.24 -17.87 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.22 -18.52 48.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 24.4 m -42.18 -26.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.554 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.4 mt -144.57 152.09 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.8 t -124.88 127.88 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.49 43.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.78 147.91 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.8 mt -114.47 133.08 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.57 171.62 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.22 -8.61 8.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -101.41 22.98 11.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 51.33 25.12 11.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.8 ' HE3' HG13 ' A' ' 118' ' ' VAL . 1.5 tmtp? -86.56 142.05 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.426 ' N ' ' HD3' ' A' ' 157' ' ' LYS . 30.6 t80 -104.46 122.41 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 26.5 mt -120.01 113.51 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.554 ' OH ' HD23 ' A' ' 148' ' ' LEU . 11.4 t80 -107.31 146.75 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -64.45 -46.29 83.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.77 -34.75 77.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 29.8 t80 -67.93 -43.62 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 HD21 ' A' ' 148' ' ' LEU . 62.2 mt -65.17 -46.78 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -53.82 -44.41 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -61.64 -43.19 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.78 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 55.7 mt -62.72 -37.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 160' ' ' TYR . 32.8 mmtt -65.36 -50.22 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.7 ptmt -66.75 -42.55 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.517 ' HB2' HG22 ' A' ' 119' ' ' VAL . 36.2 p -70.2 114.27 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -61.66 -60.4 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.22 113.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 116' ' ' SER . 13.5 t -117.42 133.22 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.802 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -95.8 135.9 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.583 HD22 HG12 ' A' ' 136' ' ' ILE . 31.3 mt -60.66 -42.27 96.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.802 ' H ' HD23 ' A' ' 120' ' ' LEU . 17.3 mt-10 -65.0 -36.01 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -74.98 -35.18 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.624 HD21 ' CE1' ' A' ' 109' ' ' PHE . 41.9 tp -62.16 -39.85 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.27 -46.43 88.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.6 t80 -70.01 -46.95 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -56.0 -46.25 78.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 mtt -96.95 -1.42 45.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.53 -44.46 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.527 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 42.6 mt -41.83 154.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -71.34 151.8 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 25.2 m -55.2 -47.69 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -66.43 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.67 -49.01 79.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.83 92.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.583 HG12 HD22 ' A' ' 121' ' ' LEU . 68.3 mt -60.15 -42.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -55.91 -42.69 76.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -41.95 75.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 124' ' ' LEU . 38.0 mt -62.93 -41.93 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.2 -41.24 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.27 -42.69 96.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.67 -35.52 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 148' ' ' LEU . 11.7 mt -70.97 -31.71 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 86.3 m -67.21 -42.18 84.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.33 -18.33 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 106.87 -22.58 29.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.8 m -40.12 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 143' ' ' LEU . 32.6 mt -145.89 139.07 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 89.9 m -123.63 121.94 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.99 43.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.56 153.88 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 49.6 mt -126.55 119.43 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.79 176.86 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.55 2.41 19.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -91.28 20.33 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.18 39.5 34.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 158' ' ' PHE . 4.8 tppt? -120.92 147.04 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 46.6 t80 -104.46 122.05 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.22 113.03 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 28.8 t80 -97.5 128.44 44.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.104 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.6 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.37 -47.71 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -63.83 -46.27 85.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.87 -36.16 79.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 52.8 t80 -64.76 -42.45 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.402 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 50.7 mt -69.27 -52.51 32.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -55.67 -35.52 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -68.31 -41.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.645 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -62.61 -36.07 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 1.8 mptm? -63.81 -48.74 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -64.55 -42.57 95.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.581 ' HB2' HG22 ' A' ' 119' ' ' VAL . 12.1 p -70.33 102.88 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -48.64 -55.73 10.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 81.3 t -125.82 117.25 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 116' ' ' SER . 16.0 t -116.97 131.77 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.97 141.28 31.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.23 -42.1 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.12 -43.06 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.45 -37.33 71.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 139' ' ' ILE . 35.8 tp -60.25 -39.16 85.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.0 -46.96 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -69.08 -44.66 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 1.4 tm0? -55.69 -45.43 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.5 mtt -95.74 -4.29 44.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.29 -42.94 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt -42.32 162.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -78.47 159.58 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.3 m -55.34 -45.5 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -68.98 -38.32 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.27 -48.94 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.03 -41.98 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -56.03 -44.39 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -63.76 -45.37 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 124' ' ' LEU . 62.9 mt -63.1 -43.17 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -56.62 -36.06 69.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -68.27 -35.31 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 148' ' ' LEU . 71.7 mt -70.75 -46.4 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 148' ' ' LEU . 2.2 mm? -63.97 -34.75 78.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.88 -46.41 78.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.02 -16.76 61.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.89 -15.41 61.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 87.0 m -41.1 -32.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 160' ' ' TYR . 35.8 mt -133.72 151.43 51.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.9 t -133.11 127.23 33.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.42 43.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.18 139.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 157' ' ' LYS . 65.9 mt -116.04 119.34 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.52 176.71 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.09 25.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.33 -16.26 14.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.84 41.31 5.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 152' ' ' ILE . 44.6 mtpt -127.86 158.92 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -109.63 126.34 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.0 mt -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.61 ' CE1' HD22 ' A' ' 148' ' ' LEU . 45.0 t80 -108.26 143.7 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.32 -47.8 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.3 m -66.27 -46.34 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -67.74 -37.37 82.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.642 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.6 t80 -63.86 -44.78 92.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.787 HG23 HD21 ' A' ' 148' ' ' LEU . 63.7 mt -68.56 -39.94 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -54.19 -44.41 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 116' ' ' SER . 4.1 t80 -62.72 -38.93 92.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.642 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 74.3 mt -67.08 -37.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -65.19 -50.39 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.3 pttt -72.29 -39.1 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.523 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 9.5 t -69.97 107.95 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.75 -48.63 74.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.99 118.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.419 HG22 ' OG ' ' A' ' 116' ' ' SER . 13.1 t -117.12 126.74 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 120' ' ' LEU . 3.3 mm? -98.47 144.01 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.59 -40.01 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.97 -43.03 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.99 -37.58 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 109' ' ' PHE . 32.3 tp -61.75 -44.07 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.08 -45.93 92.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -69.0 -41.81 77.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -58.96 -46.02 89.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.1 mtt -100.05 4.18 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 77.83 -47.05 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.54 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 45.1 mt -38.51 153.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.48 157.02 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.8 m -56.58 -47.82 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.43 ' HA ' HD12 ' A' ' 136' ' ' ILE . 73.0 tp60 -67.68 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.07 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 133' ' ' GLN . 62.4 mt -60.02 -41.96 88.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -56.09 -43.8 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.33 83.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.57 -40.0 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -61.08 -40.2 92.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.55 -40.93 84.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.61 -43.03 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 148' ' ' LEU . 32.3 mt -63.94 -33.36 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.5 m -68.34 -44.62 74.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.37 -20.84 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.54 -27.22 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.1 m -36.0 -33.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.787 HD21 HG23 ' A' ' 110' ' ' ILE . 27.7 mt -133.17 145.67 50.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 92.7 m -126.88 122.31 34.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.89 175.02 43.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.19 152.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.68 119.22 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 169.08 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.85 0.1 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -7.65 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.46 34.54 25.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -119.23 151.46 38.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -105.6 124.58 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.22 113.07 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.595 ' OH ' HD23 ' A' ' 148' ' ' LEU . 13.3 t80 -97.84 150.66 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 78.8 mt -69.72 -47.38 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 -45.18 81.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.84 -34.17 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.895 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 17.9 t80 -68.8 -48.55 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.727 HG23 HD21 ' A' ' 148' ' ' LEU . 68.1 mt -62.02 -49.94 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.43 -39.9 64.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.8 -44.96 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 35.5 mt -63.22 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.91 -50.17 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -72.05 -42.17 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 m -69.95 113.91 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -58.51 -55.05 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.6 t -127.94 124.46 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.4 t -120.15 125.84 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.774 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -88.05 136.41 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.56 -42.32 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.774 ' H ' HD23 ' A' ' 120' ' ' LEU . 37.0 mt-10 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -74.96 -36.77 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.73 -44.84 96.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -65.98 -36.3 82.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 9.4 t80 -69.97 -50.0 46.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -65.07 -46.82 79.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.0 mtt -89.23 -1.45 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 125' ' ' ALA . . . 75.33 -47.57 2.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.7 mt -36.83 153.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -69.71 155.64 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.6 m -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -63.52 -41.08 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -58.22 -47.24 84.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.95 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 53.7 mt -61.11 -46.81 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.34 -39.73 76.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -63.49 -47.45 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.539 HG21 ' CE1' ' A' ' 158' ' ' PHE . 39.1 mt -63.64 -47.68 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.46 -38.8 72.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.39 -46.95 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 158' ' ' PHE . 92.6 mt -65.39 -36.03 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.4 m -68.25 -43.15 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.51 -18.9 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.89 -26.23 24.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 47.8 m -38.44 -34.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.727 HD21 HG23 ' A' ' 110' ' ' ILE . 29.4 mt -135.17 155.07 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.4 p -128.86 123.5 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.98 172.66 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.49 151.9 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 89.1 mt -123.43 125.97 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.5 175.73 7.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.06 -18.73 65.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -86.29 -2.14 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 70.97 31.58 66.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -88.92 147.32 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.613 ' HE2' HG21 ' A' ' 113' ' ' ILE . 6.0 t80 -104.26 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 48.7 mt -133.09 113.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.565 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -101.83 136.52 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HE2' HD11 ' A' ' 130' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 107' ' ' THR . 3.9 pp -70.24 -43.22 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 106' ' ' LEU . 43.0 m -66.36 -46.44 76.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -38.69 83.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.678 ' HE1' HD11 ' A' ' 124' ' ' LEU . 32.2 t80 -66.04 -48.79 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.55 -46.01 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -55.32 -36.52 66.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.86 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 109' ' ' PHE . 67.3 mt -67.25 -40.76 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -53.85 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -72.14 -42.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.2 m -70.01 101.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.63 -44.91 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.3 119.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.01 133.06 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -98.6 137.73 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 158' ' ' PHE . 20.8 mt -68.02 -42.04 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.0 -43.09 93.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.09 -38.78 61.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD11 ' HE1' ' A' ' 109' ' ' PHE . 15.4 tp -62.18 -39.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -46.95 88.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.93 -42.36 73.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.433 ' CD ' ' C ' ' A' ' 127' ' ' GLN . 1.8 tm0? -55.81 -47.01 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.2 mtt -95.2 -5.04 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 83.44 -37.33 2.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 105' ' ' PHE . 37.9 mt -45.03 161.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -76.27 153.31 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.1 m -57.17 -43.53 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.422 ' HG3' ' ND2' ' A' ' 137' ' ' ASN . 17.5 tp60 -68.83 -44.85 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.55 -49.03 78.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.48 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.659 HG12 HD22 ' A' ' 121' ' ' LEU . 66.8 mt -61.07 -50.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 133' ' ' GLN . 84.4 m-20 -61.29 -36.87 81.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -68.56 -37.29 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 124' ' ' LEU . 49.8 mt -69.56 -49.08 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.456 ' HA ' HD13 ' A' ' 143' ' ' LEU . 12.9 mm-40 -55.44 -34.37 64.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.29 -32.76 73.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.95 -36.54 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 140' ' ' GLN . 4.3 mp -63.94 -33.21 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.7 m -66.91 -38.44 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -80.73 10.56 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.68 20.26 69.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.9 m -80.12 -38.07 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 160' ' ' TYR . 54.1 mt -134.19 147.27 50.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.0 m -126.07 121.96 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -169.01 174.81 43.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.86 144.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 71.2 mt -110.87 115.6 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -76.33 177.74 7.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.16 13.62 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -95.54 -0.35 52.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.49 43.42 86.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -130.6 161.2 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.703 ' HB2' HD21 ' A' ' 121' ' ' LEU . 15.3 t80 -104.06 122.0 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.05 113.41 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 148' ' ' LEU . 72.4 t80 -110.95 137.33 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 73.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.895 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 130' ' ' LEU . 20.1 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.04 -46.93 82.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.2 m -62.21 -46.24 89.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.28 -40.46 86.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 113' ' ' ILE . 5.0 t80 -65.69 -42.05 91.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 148' ' ' LEU . 82.8 mt -68.93 -44.68 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.5 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -66.6 -35.11 79.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 109' ' ' PHE . 56.6 mt -68.19 -45.03 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HE2' HG22 ' A' ' 110' ' ' ILE . 27.2 mttt -54.33 -50.1 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -72.14 -41.96 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.1 m -69.89 97.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -43.89 -49.61 8.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.2 t -128.01 135.34 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.57 126.02 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.28 143.95 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.69 HD22 HG12 ' A' ' 136' ' ' ILE . 19.7 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -36.42 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 109' ' ' PHE . 48.2 tp -61.99 -37.79 86.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.97 -46.86 76.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.9 t80 -70.01 -39.71 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.09 -46.92 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.5 mtt -103.4 -1.89 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.37 -36.42 2.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 105' ' ' PHE . 44.5 mt -40.59 153.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -64.75 151.51 45.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 24.0 m -56.47 -48.83 76.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.73 -39.0 90.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.42 -48.87 79.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.69 HG12 HD22 ' A' ' 121' ' ' LEU . 65.3 mt -60.67 -42.42 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.89 -38.77 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -66.55 -39.8 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.53 -48.48 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.21 -38.54 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -68.62 -46.53 69.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.45 -36.71 85.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 148' ' ' LEU . 38.4 mt -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.9 m -69.43 -40.07 77.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -74.52 -20.52 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.8 -18.83 45.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.2 m -45.09 -27.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.737 ' O ' HD23 ' A' ' 143' ' ' LEU . 23.1 mt -139.59 143.8 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 34.5 m -116.97 122.38 44.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.14 174.55 42.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.74 149.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.84 129.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -94.23 176.41 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.88 0.1 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -105.08 23.8 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.01 42.75 6.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -109.28 148.71 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.609 ' HE1' HD11 ' A' ' 143' ' ' LEU . 12.9 t80 -106.66 123.81 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.0 mt -121.64 115.5 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.647 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -108.94 141.19 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.568 ' H ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -70.27 -45.85 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.0 m -58.82 -46.38 87.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 12.5 pt-20 -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.739 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 26.6 t80 -64.1 -46.52 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.12 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -53.45 -41.59 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.96 -37.62 86.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.739 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.5 mt -68.06 -39.13 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.96 -50.19 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -72.21 -42.26 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -70.07 103.08 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -60.77 -35.54 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 94.9 t -128.05 112.27 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.1 t -117.79 124.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.97 142.22 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.552 HD13 HG12 ' A' ' 136' ' ' ILE . 36.0 mt -68.07 -41.98 81.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.99 -42.36 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.28 -40.44 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.638 HD21 ' CE1' ' A' ' 109' ' ' PHE . 51.4 tp -56.13 -41.65 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -44.66 97.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.52 -46.28 80.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 36.6 mtt -101.98 -6.79 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 88.96 -37.82 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 134' ' ' ASP . 96.8 mt -38.32 152.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -65.15 153.93 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.1 m -55.52 -47.08 76.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -68.95 -43.26 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 130' ' ' LEU . 19.3 t70 -59.09 -47.89 83.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -61.83 -45.73 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 121' ' ' LEU . 76.1 mt -60.89 -42.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -55.91 -33.72 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -63.7 -47.68 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.4 mp -67.58 -42.36 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -56.06 -40.91 74.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -68.81 -41.21 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.36 -46.53 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 148' ' ' LEU . 32.0 mt -64.79 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.8 m -68.04 -39.32 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.36 -20.17 59.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 106.47 -28.71 12.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.3 m -36.02 -36.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.336 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 160' ' ' TYR . 33.4 mt -133.34 156.25 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.6 p -132.66 122.97 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.37 174.8 38.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.2 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 80.2 mt -123.67 134.89 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -99.42 173.56 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -56.46 -14.69 3.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -94.67 23.95 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 45.27 28.4 2.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -87.92 140.46 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -107.58 122.53 46.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 56.2 mt -117.56 116.51 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.591 ' CE1' HD22 ' A' ' 148' ' ' LEU . 58.7 t80 -104.87 120.04 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.681 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.9 mp -69.08 -46.68 67.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -65.21 -45.88 82.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.29 -34.08 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 4.0 t80 -68.03 -48.51 65.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.75 -39.02 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -54.95 -33.65 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -65.5 -46.23 80.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 59.7 mt -66.86 -43.66 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.95 -47.61 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -71.05 -42.19 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -70.12 -174.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -125.96 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.47 110.63 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.99 125.84 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -97.95 144.1 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 23.1 mt -55.85 -42.17 75.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.8 tt0 -64.96 -42.98 94.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.58 -40.02 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.38 -43.44 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.84 -46.58 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 3.8 t80 -68.19 -42.42 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.04 -46.34 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.0 mtt -91.71 -3.98 55.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.83 -38.46 3.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.483 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 31.9 mt -45.88 159.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -75.1 158.28 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.3 m -62.36 -46.72 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.94 -37.4 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -48.95 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.05 98.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 68.1 mt -60.01 -42.15 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -56.93 -43.92 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -45.36 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.46 ' O ' HD23 ' A' ' 143' ' ' LEU . 28.2 mt -60.17 -45.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -56.0 -39.32 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.42 -35.51 81.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.58 -50.09 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 148' ' ' LEU . 4.1 mm? -64.07 -31.91 73.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 36.8 m -69.46 -47.55 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.63 -20.19 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.6 -22.34 30.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.9 m -38.29 -35.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.757 HD22 ' CE1' ' A' ' 160' ' ' TYR . 44.9 mt -134.25 151.49 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 69.2 p -128.7 122.3 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.38 175.0 43.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.38 158.45 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 92.0 mt -126.48 133.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -102.87 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -49.53 -22.55 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -89.09 21.98 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.28 36.23 2.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.36 144.23 26.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -103.93 135.72 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.26 114.34 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.757 ' CE1' HD22 ' A' ' 148' ' ' LEU . 15.7 t80 -105.81 133.15 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.24 -47.02 81.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.2 m -65.91 -44.6 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.27 -33.36 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.6 t80 -66.48 -44.48 82.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.8 -46.21 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -55.87 -39.56 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -64.79 -39.85 94.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.691 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 70.9 mt -64.91 -37.6 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -58.11 -50.14 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -72.07 -41.92 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -69.99 111.64 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' VAL . 14.9 ptpt -67.89 -41.44 82.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 90.2 t -127.98 114.82 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.1 t -117.12 126.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD13 ' HD3' ' A' ' 157' ' ' LYS . 51.4 tp -98.21 134.57 41.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.673 HD22 HG12 ' A' ' 136' ' ' ILE . 26.1 mt -59.92 -41.82 92.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.27 -42.94 99.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.85 -30.91 61.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.03 -46.81 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.51 -41.5 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -69.93 -43.8 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.99 -45.87 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.9 mtt -94.35 -5.16 47.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.71 -42.61 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.557 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 61.7 mt -39.24 150.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -60.68 160.62 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 89.5 m -62.42 -48.93 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -67.42 -38.53 84.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -47.73 84.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.85 -44.45 93.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.673 HG12 HD22 ' A' ' 121' ' ' LEU . 87.0 mt -62.19 -42.32 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -56.89 -32.28 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 3.9 mmm180 -65.22 -48.97 71.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 135' ' ' ALA . 4.9 mp -63.45 -38.88 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -55.98 -43.27 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.4 -34.64 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.914 HD13 HD12 ' A' ' 148' ' ' LEU . 26.0 mt -69.8 -48.81 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 148' ' ' LEU . 3.0 mm? -65.74 -32.62 74.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 96.1 m -71.52 -40.93 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -78.45 -20.88 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.16 -22.92 33.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 88.0 m -38.5 -39.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.164 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 142' ' ' LEU . 20.2 mt -130.09 150.99 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.9 m -128.84 126.84 40.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' HD11 ' A' ' 143' ' ' LEU . . . -166.55 174.92 42.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.4 m -127.28 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 64.0 mt -112.61 133.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -97.34 170.99 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -12.41 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -93.47 23.46 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.67 35.76 4.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.467 ' HD3' HD13 ' A' ' 120' ' ' LEU . 20.8 mmmt -100.07 145.99 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.54 122.85 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.0 114.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -104.87 138.9 40.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -69.02 -47.73 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -66.34 -46.31 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.68 -33.08 74.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 50.5 t80 -64.34 -43.5 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 148' ' ' LEU . 57.8 mt -69.27 -38.09 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -53.03 -27.82 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.6 -43.7 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 23.8 mt -68.41 -45.58 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' A' ' 110' ' ' ILE . 1.8 mmmm -54.03 -50.17 67.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.19 -42.13 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -70.08 116.38 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.41 -52.52 64.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -127.38 117.46 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.36 134.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.9 tp -98.71 141.13 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.4 mt -64.1 -42.02 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.96 -43.01 94.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.01 -34.9 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 139' ' ' ILE . 61.6 tp -60.36 -37.52 80.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.71 -46.97 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -69.48 -39.78 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.3 -46.71 72.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.4 mtt -99.05 -6.96 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.16 -36.03 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 mt -42.45 165.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -77.54 155.8 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.0 m -56.73 -48.03 78.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -67.87 -40.84 83.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.95 -47.41 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.51 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 50.0 mt -60.47 -42.03 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.95 -40.26 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -66.12 -47.36 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.621 HD11 ' CD2' ' A' ' 124' ' ' LEU . 44.3 mt -62.72 -46.96 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -57.06 -40.32 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.8 -45.2 83.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.61 -45.13 84.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 148' ' ' LEU . 25.6 mt -64.73 -36.3 83.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.0 m -62.09 -45.83 91.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.04 -19.07 62.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.36 -15.68 42.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.8 m -42.48 -29.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 160' ' ' TYR . 55.3 mt -142.52 157.6 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 37.5 p -133.8 122.94 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.88 172.2 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.87 151.68 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.3 mt -110.57 132.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.43 174.04 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.55 -9.75 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -97.9 19.44 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.67 28.07 14.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -93.29 144.06 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 143' ' ' LEU . 16.6 t80 -105.86 122.61 46.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.2 mt -113.02 119.03 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' TYR . . . . . 0.758 ' CE1' HD22 ' A' ' 148' ' ' LEU . 74.4 t80 -107.73 124.39 49.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -60.32 148.53 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 p -117.66 171.4 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.08 -152.47 21.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.8 m -84.24 50.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.0 p -95.11 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.62 -42.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.77 -34.2 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.02 -46.94 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 m -65.57 -46.11 80.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.62 -36.12 80.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 5.4 t80 -64.51 -40.64 96.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.447 ' HA ' HD12 ' A' ' 113' ' ' ILE . 76.7 mt -68.33 -45.04 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -59.4 -35.28 73.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.21 -37.96 86.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.632 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 mt -65.69 -44.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.6 mptm? -55.22 -49.93 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -69.34 -42.06 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.7 m -69.99 116.13 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -63.34 -54.94 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.8 t -121.43 117.84 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.84 126.16 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 tp -98.43 143.9 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.8 mt -65.56 -41.93 92.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -64.98 -42.85 94.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.6 -34.92 65.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD2' HD11 ' A' ' 139' ' ' ILE . 33.8 tp -56.7 -46.85 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.95 -35.61 81.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.21 -49.71 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 128' ' ' MET . 14.3 pt20 -64.85 -42.86 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.476 ' N ' ' HG3' ' A' ' 127' ' ' GLN . 11.0 mtt -86.49 -5.98 59.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.42 -39.88 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.654 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 29.9 mt -46.3 171.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -86.28 155.75 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 136' ' ' ILE . 93.8 m -55.97 -48.98 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.76 -43.65 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.67 -47.54 84.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.44 93.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.489 ' CD1' HG22 ' A' ' 132' ' ' THR . 62.9 mt -61.07 -43.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.34 -41.14 75.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -67.54 -41.3 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 143' ' ' LEU . 21.9 mt -66.61 -45.15 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.445 ' NE2' HG22 ' A' ' 136' ' ' ILE . 25.1 mt-30 -62.5 -39.76 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -45.95 80.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.1 -38.18 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 148' ' ' LEU . 56.2 mt -71.01 -30.99 67.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 73.0 m -68.24 -41.87 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -74.79 -15.13 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.26 -21.58 42.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 42.6 m -40.94 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 143' ' ' LEU . 34.8 mt -139.93 147.24 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 74.9 p -121.76 122.97 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.68 39.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.38 151.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.07 134.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -97.11 176.65 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -10.62 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -97.61 21.56 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.824 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 43.37 40.0 4.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HD2' HD11 ' A' ' 159' ' ' ILE . 12.6 ptpt -102.01 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.51 ' CE1' HD11 ' A' ' 143' ' ' LEU . 14.8 t80 -106.08 124.2 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.665 HD11 ' HD2' ' A' ' 157' ' ' LYS . 47.7 mt -123.0 115.63 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.609 ' OH ' HD23 ' A' ' 148' ' ' LEU . 5.2 t80 -101.79 131.55 48.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.1 mt -115.08 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -105.3 141.19 22.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 117.69 5.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.9 t -78.99 127.21 31.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 115.21 -94.87 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.49 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 94.5 p -92.94 44.03 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 26.3 t -118.65 148.17 43.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.4 p 38.89 42.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.3 p -137.6 171.12 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.61 -135.13 14.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -102.94 42.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.8 m -94.49 -51.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.22 51.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.44 -37.46 86.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.01 -47.04 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 m -61.78 -46.22 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.81 -34.01 75.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 14.3 t80 -69.31 -40.76 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.56 HG23 HD21 ' A' ' 148' ' ' LEU . 76.7 mt -69.31 -45.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -53.5 -41.95 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.32 -39.14 93.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.633 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 53.8 mt -68.32 -37.92 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -57.17 -50.23 73.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -72.04 -42.26 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 m -70.01 114.62 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -67.49 -46.13 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -127.87 115.51 39.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.0 137.36 51.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 mp -98.94 141.84 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.99 -41.81 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.98 -42.93 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.61 -39.27 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.549 HD11 ' HE1' ' A' ' 109' ' ' PHE . 23.8 tp -56.75 -41.13 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.68 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.93 -43.16 99.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.85 -43.22 75.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -54.0 -46.58 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.4 mtt -98.37 -5.22 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.81 -41.82 3.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.68 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 23.0 mt -41.69 156.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -72.74 158.02 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.9 m -57.31 -47.09 82.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -65.43 -36.74 84.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -61.85 -48.07 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -61.47 -44.87 96.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.29 -42.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -56.14 -43.74 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -64.62 -41.19 96.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.85 -42.53 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.37 -40.33 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -45.61 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.05 -41.3 91.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 148' ' ' LEU . 45.9 mt -64.49 -33.39 75.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.9 m -68.54 -40.14 80.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.89 -20.51 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.51 -27.19 19.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 146' ' ' GLY . 90.8 m -36.22 -34.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 143' ' ' LEU . 43.7 mt -135.58 139.29 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 82.0 p -114.52 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.36 172.68 42.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.58 158.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.301 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.95 128.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 176.58 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 154' ' ' ASP . 1.1 t70 -70.94 -1.77 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -98.13 -4.17 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 73.95 27.99 65.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -94.64 155.61 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.7 125.73 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.11 113.9 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.615 ' OH ' HD23 ' A' ' 148' ' ' LEU . 17.9 t80 -109.01 143.82 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.9 mt -117.21 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -84.23 141.17 39.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.52 0.676 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 151.02 68.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.3 m 58.67 32.09 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -145.62 146.06 15.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 93.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 98.6 p -41.37 -48.33 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 66.2 m -122.91 150.73 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 55.8 m -91.71 -54.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 t -174.18 128.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.03 45.34 1.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 m -42.01 -51.92 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -79.1 -58.08 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.43 -39.66 2.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.49 -39.15 86.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.769 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.1 mp -68.26 -47.78 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.3 m -64.27 -46.32 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -65.79 -36.45 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 13.0 t80 -67.14 -48.74 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.34 -47.74 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -53.62 -44.4 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -61.62 -37.85 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 81.5 mt -65.27 -42.73 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -57.79 -49.27 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -71.92 -42.13 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.5 m -70.0 100.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.09 -47.79 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.96 116.95 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.44 130.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.74 140.04 32.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 156' ' ' GLY . 13.4 mt -64.96 -41.94 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -64.97 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -72.72 -32.71 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 109' ' ' PHE . 27.1 tp -62.23 -37.28 84.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.06 -46.97 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -70.04 -40.09 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.03 -47.01 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 41.8 mtt -103.13 -1.9 28.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 85.73 -43.4 3.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.485 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 32.2 mt -37.94 143.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 131' ' ' ARG . 2.4 mpt_? -62.38 157.92 18.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.6 m -59.02 -41.76 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.22 -41.13 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.0 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.76 -43.79 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -57.64 -44.29 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.07 -43.22 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -56.58 -37.08 70.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.96 -35.07 79.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.803 HD13 HD12 ' A' ' 148' ' ' LEU . 83.4 mt -69.23 -42.05 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 148' ' ' LEU . 2.4 mm? -71.96 -31.91 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 71.7 m -69.33 -40.86 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -77.66 -19.68 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.88 45.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.6 m -40.15 -40.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 142' ' ' LEU . 46.0 mt -127.15 139.01 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.7 p -115.57 124.54 51.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.48 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.73 145.17 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.82 133.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.34 172.24 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -58.66 -22.92 58.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -84.4 -11.32 56.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 79.66 38.64 19.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.69 146.12 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -104.25 122.36 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.85 113.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.604 ' CE1' HD22 ' A' ' 148' ' ' LEU . 21.7 t80 -95.47 123.58 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 60.5 mt -115.86 92.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.458 ' HB ' ' CE2' ' A' ' 160' ' ' TYR . 1.3 t -108.19 141.22 22.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.53 25.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 79.2 p -123.04 133.52 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -54.29 -70.01 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 87.18 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.407 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 25.0 m -55.17 -61.85 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 56.6 m 60.95 41.99 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.9 m -46.6 124.6 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.6 p -161.73 172.52 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.99 78.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t -97.37 151.72 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -138.34 118.91 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.43 53.19 1.16 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.01 -36.39 79.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 mt -70.17 -47.82 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 79.8 m -64.99 -46.31 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.85 -33.43 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 32.2 t80 -70.12 -46.46 64.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.3 mt -66.22 -42.15 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.05 -44.47 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -66.73 -37.46 84.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 61.3 mt -66.95 -37.42 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -64.06 -50.14 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.9 ptpt -71.76 -42.22 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 118' ' ' VAL . 58.8 m -70.01 74.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -34.88 -32.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' SER . 49.1 t -128.03 119.01 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.58 124.13 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.08 138.8 34.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 136' ' ' ILE . 12.7 mt -67.84 -41.98 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -64.98 -42.89 94.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -40.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.504 HD21 ' HE1' ' A' ' 109' ' ' PHE . 41.1 tp -56.06 -41.01 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -59.96 -46.45 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.87 -40.73 75.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 8.0 mm-40 -54.36 -46.97 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 34.0 mtt -105.05 5.17 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 80.27 -43.87 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.2 mt -37.44 155.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.29 152.87 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.9 m -55.11 -45.42 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 26.2 tp60 -68.47 -43.16 77.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -45.13 87.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.06 95.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 91.0 mt -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 133' ' ' GLN . 1.1 m120 -55.98 -41.53 74.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -66.85 -48.41 68.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 mt -61.66 -42.29 93.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -58.61 -40.36 83.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -43.15 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.15 -40.09 90.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 148' ' ' LEU . 55.8 mt -69.27 -36.57 77.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 89.3 m -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.35 -20.06 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.48 -25.72 23.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.4 m -41.65 -27.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 160' ' ' TYR . 73.4 mt -141.83 151.29 42.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.2 t -134.48 126.9 30.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.82 174.64 43.42 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.58 152.4 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.51 119.24 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.02 173.8 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -77.12 7.41 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -92.28 9.84 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 59.43 39.86 95.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -126.71 155.23 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -105.98 130.56 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.97 114.07 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.619 ' CE1' HD22 ' A' ' 148' ' ' LEU . 41.5 t80 -96.45 143.36 27.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.97 116.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -175.01 141.2 0.67 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 50.3 m -132.44 -41.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 156.13 -160.05 29.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 84.6 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 75.1 m -137.14 148.99 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 64.9 p -134.6 145.52 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.5 t 42.0 42.1 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.7 m -107.94 173.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 166.89 67.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.1 t 46.12 41.03 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -115.97 97.55 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.8 43.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 130' ' ' LEU . 3.1 t80 -63.01 -36.26 82.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.04 -47.84 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m -66.29 -46.3 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.85 -35.2 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.0 t80 -64.22 -45.16 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 96.8 mt -65.53 -44.88 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 76.7 mt -67.34 -45.13 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 2.2 mptm? -54.65 -50.17 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -72.09 -42.15 66.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.7 m -70.0 107.34 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.87 -45.82 92.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.7 115.25 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.08 124.48 73.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.35 141.66 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.764 HD22 HG12 ' A' ' 136' ' ' ILE . 19.2 mt -67.86 -41.98 82.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.99 -43.04 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -74.95 -33.78 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.77 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.27 -45.3 85.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.63 -49.97 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -55.79 -45.28 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 mtt -90.63 -7.82 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.19 -38.99 2.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.635 HD11 ' CE1' ' A' ' 105' ' ' PHE . 47.1 mt -44.54 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -71.37 159.58 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.1 m -60.86 -47.11 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -68.99 -47.2 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.1 -44.83 87.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.4 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.764 HG12 HD22 ' A' ' 121' ' ' LEU . 77.5 mt -60.26 -42.01 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -56.08 -32.04 63.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -60.54 -45.77 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 158' ' ' PHE . 4.1 mp -69.59 -47.36 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.87 -41.25 95.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.67 -43.46 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.37 -36.84 82.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 148' ' ' LEU . 33.2 mt -67.35 -35.54 79.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.9 m -66.53 -42.21 87.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.69 -14.14 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 96.02 -23.09 36.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 146' ' ' GLY . 35.1 m -35.32 -43.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 143' ' ' LEU . 37.9 mt -128.23 150.31 50.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.5 m -126.15 123.22 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -159.62 173.96 36.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.57 140.42 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 157' ' ' LYS . 62.1 mt -121.87 126.38 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -79.44 177.92 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.67 28.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -106.37 -15.98 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.26 41.4 6.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 152' ' ' ILE . 32.3 ttmt -130.9 157.06 43.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE1' HG21 ' A' ' 139' ' ' ILE . 16.3 t80 -104.9 124.31 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 76.5 mt -126.3 113.8 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.418 ' CE1' HD22 ' A' ' 148' ' ' LEU . 39.0 t80 -102.95 133.61 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.37 111.12 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 163' ' ' PRO . 83.5 m -106.57 139.21 20.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.75 141.01 44.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 60.6 p -165.17 128.46 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -133.01 -74.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 92.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.5 m -88.57 127.1 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.6 m -144.23 134.42 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.0 p -50.57 107.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.0 p -129.7 108.4 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -107.17 110.23 3.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -94.35 159.01 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -55.84 112.94 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.28 63.03 1.42 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.0 -47.53 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 111' ' ' ASN . 31.9 m -66.2 -46.26 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.76 -35.97 81.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.604 ' HE1' HD11 ' A' ' 124' ' ' LEU . 23.9 t80 -69.49 -45.04 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.44 -42.34 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 107' ' ' THR . 60.7 m-20 -62.82 -32.34 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.86 -34.0 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.419 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 94.7 mt -65.14 -47.15 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -71.38 -42.13 68.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG22 ' A' ' 119' ' ' VAL . 19.3 m -69.93 94.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -45.0 -59.5 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.6 t -119.24 117.98 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 124' ' ' LEU . 58.7 t -117.03 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.61 142.81 26.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 156' ' ' GLY . 14.5 mt -63.17 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.77 -42.77 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -31.53 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.604 HD11 ' HE1' ' A' ' 109' ' ' PHE . 28.2 tp -62.79 -46.68 86.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -69.63 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -55.78 -46.38 77.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.6 mtt -99.22 -4.56 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.39 -43.0 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 30.0 mt -40.94 151.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -66.15 157.18 31.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 21.8 m -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.68 -45.82 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.1 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.513 HG12 HD22 ' A' ' 121' ' ' LEU . 67.3 mt -61.73 -42.08 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -56.05 -40.07 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -62.46 -46.51 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 124' ' ' LEU . 50.3 mt -61.44 -44.69 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.24 -36.85 68.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 145' ' ' GLU . 5.1 m-20 -68.14 -37.38 81.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.509 HD13 HD12 ' A' ' 148' ' ' LEU . 66.3 mt -69.96 -49.02 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 139' ' ' ILE . 4.0 mm? -64.08 -39.28 93.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -41.63 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 141' ' ' ASP . 8.3 mm-40 -73.36 -17.34 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.15 63.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 m -55.77 -34.27 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 160' ' ' TYR . 40.4 mt -134.35 163.23 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.1 p -134.16 125.87 28.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.54 175.0 39.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.64 148.94 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 94.0 mt -117.75 134.23 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.84 172.03 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.09 -17.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -92.5 18.47 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.57 ' O ' HD11 ' A' ' 121' ' ' LEU . . . 44.16 37.4 4.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 158' ' ' PHE . 3.1 ttmp? -96.19 147.47 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.437 ' N ' ' HG2' ' A' ' 157' ' ' LYS . 42.4 t80 -110.46 127.7 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.89 115.73 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.68 ' CE1' HD22 ' A' ' 148' ' ' LEU . 49.7 t80 -100.91 122.83 44.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 50.8 mt -92.79 121.04 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.684 HG23 ' HD2' ' A' ' 163' ' ' PRO . 85.6 m -132.02 139.18 34.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.9 Cg_endo -69.76 115.98 4.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.1 t -160.44 126.01 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -46.51 -80.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.55 69.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 28.4 m -143.56 119.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 40.5 p -90.34 -43.7 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.4 m -107.81 130.39 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -65.95 -61.55 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.41 110.5 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 p -153.08 174.59 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -59.99 170.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.51 -44.15 0.14 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -66.23 -39.55 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.9 -46.02 72.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.2 m -65.88 -46.22 79.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -37.51 82.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.615 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.7 t80 -64.2 -42.35 96.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 113' ' ' ILE . 80.6 mt -68.28 -40.84 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -54.4 -44.45 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 115' ' ' LYS . 51.5 t80 -61.7 -36.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -65.72 -41.08 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -60.12 -50.22 74.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 8.4 ptmm? -70.97 -42.04 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 119' ' ' VAL . 4.1 t -69.92 115.01 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -65.52 -45.81 82.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.99 114.67 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 116' ' ' SER . 13.3 t -118.39 124.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.96 142.81 29.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 19.1 mt -63.91 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.99 -42.88 94.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.4 -38.67 63.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 135' ' ' ALA . 51.4 tp -57.81 -39.23 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -62.15 -46.55 88.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -70.0 -40.21 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -54.95 -46.97 75.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 55.9 mtt -100.01 -6.6 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.7 -37.53 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.412 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 72.5 mt -42.8 160.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -73.61 158.08 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.3 m -59.41 -47.9 83.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.11 -41.94 97.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 -45.45 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 124' ' ' LEU . . . -65.31 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 56.0 mt -60.65 -45.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.28 -38.59 74.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -64.9 -48.66 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.69 -43.59 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -57.45 -41.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.59 -41.93 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.53 -37.89 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 148' ' ' LEU . 24.9 mt -70.23 -33.11 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.1 m -70.64 -42.76 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -69.8 -19.75 63.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.71 -23.41 31.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 55.9 m -37.9 -44.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 143' ' ' LEU . 35.5 mt -127.05 150.71 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 53.9 m -125.75 122.36 36.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.69 39.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.4 147.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.46 133.67 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -99.28 171.73 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -11.25 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -90.3 21.0 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.57 51.86 6.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.532 ' NZ ' HD11 ' A' ' 159' ' ' ILE . 4.2 ptmm? -121.99 146.45 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.62 122.63 46.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.532 HD11 ' NZ ' ' A' ' 157' ' ' LYS . 45.3 mt -118.36 115.66 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.475 ' OH ' HD23 ' A' ' 148' ' ' LEU . 8.9 t80 -105.21 135.21 46.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 40.3 mt -100.46 117.21 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 163' ' ' PRO . 84.1 m -145.28 139.22 14.8 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.601 0.715 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 162' ' ' THR . 54.0 Cg_endo -69.74 144.79 55.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.9 t -59.15 135.17 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.89 156.2 13.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 41.5 t -45.54 158.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 73.3 m -74.92 -61.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p -64.3 94.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 t 70.64 42.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.77 144.43 15.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -71.33 128.41 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -110.83 97.28 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.22 40.37 2.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 0.4 OUTLIER -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 107' ' ' THR . 4.0 pp -62.62 -42.56 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 106' ' ' LEU . 69.7 m -66.23 -46.36 77.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.84 -33.21 74.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 34.2 t80 -66.73 -44.08 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.692 HG12 HD11 ' A' ' 148' ' ' LEU . 66.5 mt -66.74 -45.93 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -54.25 -42.45 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.93 -40.92 99.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.765 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 46.5 mt -66.0 -39.78 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -55.32 -50.25 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -72.09 -42.24 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -69.96 117.87 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.77 -55.71 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.45 120.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.8 125.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.94 143.97 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 132' ' ' THR . 24.6 mt -67.46 -35.34 79.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.0 -43.03 93.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.04 -36.97 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.07 -41.75 97.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.13 -46.99 86.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 6.3 t80 -68.8 -41.56 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.1 -46.99 84.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.6 mtt -98.27 -0.47 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 82.48 -43.01 2.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 22.4 mt -44.01 161.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.32 154.88 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 121' ' ' LEU . 38.7 m -57.16 -48.83 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.95 -45.09 96.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -45.73 87.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.83 98.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 121' ' ' LEU . 55.5 mt -60.07 -42.04 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.94 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 mt -60.84 -39.32 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.85 -41.98 92.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.81 -36.16 82.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 139' ' ' ILE . 48.8 mt -67.87 -41.31 83.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 148' ' ' LEU . 74.3 mt -70.34 -38.05 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.4 m -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.58 -18.4 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.75 -24.46 30.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.6 m -39.62 -34.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 111.198 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.692 HD11 HG12 ' A' ' 110' ' ' ILE . 39.7 mt -135.25 152.33 51.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' A' ' 160' ' ' TYR . 3.1 t -134.03 129.13 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.42 174.62 43.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.06 139.14 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 157' ' ' LYS . 68.0 mt -119.45 119.14 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.91 177.8 5.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.14 21.73 1.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -102.89 -15.52 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 87.32 39.93 7.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' ' 152' ' ' ILE . 0.7 OUTLIER -127.55 156.79 41.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -105.7 129.04 54.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 57.2 mt -128.85 113.84 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 149' ' ' THR . 6.5 t80 -109.04 145.61 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.3 mt -115.76 128.66 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.658 HG23 ' HD2' ' A' ' 163' ' ' PRO . 89.8 m -156.46 139.11 10.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.74 150.17 67.98 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 71.2 m -134.51 -52.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 155.1 -81.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 167' ' ' SER . 53.5 Cg_endo -69.79 -6.83 19.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 166' ' ' PRO . 11.8 m -37.88 152.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 44.4 t -154.34 128.33 8.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -49.74 -51.22 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.373 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t -54.54 110.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 160.95 41.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.6 t -124.03 153.47 41.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -85.98 108.84 18.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.0 48.89 4.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 130' ' ' LEU . 16.2 t80 -63.3 -35.37 80.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.393 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.616 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.9 mp -69.48 -47.79 62.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -64.2 -46.22 84.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.82 -34.72 77.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 113' ' ' ILE . 6.8 t80 -63.66 -46.99 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.545 HG22 ' NZ ' ' A' ' 114' ' ' LYS . 33.5 mt -67.17 -41.52 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -53.45 -28.54 30.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -75.99 -33.8 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 109' ' ' PHE . 88.6 mt -64.77 -42.75 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.545 ' NZ ' HG22 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -53.96 -50.2 67.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -72.07 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 119' ' ' VAL . 3.5 t -70.01 106.26 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -59.43 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.98 114.98 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.548 HG22 ' OG ' ' A' ' 116' ' ' SER . 11.8 t -117.18 130.78 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.431 ' CD1' ' HD3' ' A' ' 157' ' ' LYS . 23.4 tp -98.98 143.32 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 136' ' ' ILE . 8.9 mt -66.54 -42.02 87.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.01 -42.95 93.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.0 -35.23 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.438 HD21 ' HE2' ' A' ' 109' ' ' PHE . 23.8 tp -62.4 -43.16 99.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.16 -44.85 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.557 ' C ' ' CD1' ' A' ' 126' ' ' PHE . 1.4 t80 -69.76 -38.97 76.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -56.62 -44.83 81.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 33.2 mtt -96.7 -16.48 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 95.61 -28.25 12.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 84.0 mt -51.67 147.37 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -56.86 153.02 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.6 m -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.94 -46.45 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.1 -44.22 87.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.699 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.533 HG12 HD22 ' A' ' 121' ' ' LEU . 66.6 mt -63.65 -43.2 98.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.1 -32.57 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.3 -46.92 84.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -70.0 -42.89 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.07 -40.87 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.91 -45.21 82.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.84 -42.14 97.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -31.74 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.9 m -71.77 -46.57 57.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.24 -18.43 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.35 37.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -40.55 -32.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.536 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.1 mt -137.83 155.75 48.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 60.9 m -129.37 122.05 28.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -160.69 174.93 37.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.42 147.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.48 132.39 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.62 172.92 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.75 -7.66 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -98.72 21.9 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 121' ' ' LEU . . . 44.66 43.69 8.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.431 ' HD3' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -107.22 153.07 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.943 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -107.48 122.18 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.37 115.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.536 ' OH ' HD23 ' A' ' 148' ' ' LEU . 9.6 t80 -107.84 134.47 50.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 44.3 mt -100.25 114.68 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 163' ' ' PRO . 98.6 m -135.4 138.99 30.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.5 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.5 m -61.0 137.98 58.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -132.31 -94.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 11.7 t -84.41 92.53 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -77.77 153.22 33.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -51.66 127.12 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.6 p -121.74 166.1 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.78 13.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m -92.0 57.69 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -97.27 83.89 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.78 -37.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.98 -45.07 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.396 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 142' ' ' LEU . 13.3 mt -62.23 -44.78 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -46.07 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -63.77 -36.42 83.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 1.015 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.9 t80 -68.07 -46.64 70.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 113' ' ' ILE . 89.0 mt -60.11 -44.25 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -56.91 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.81 -35.83 77.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.015 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.7 mt -67.54 -41.11 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.74 -50.06 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -71.84 -42.14 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 m -69.93 109.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.75 -44.13 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.8 HG13 ' HE3' ' A' ' 157' ' ' LYS . 99.4 t -127.48 117.75 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.05 123.98 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 120' ' ' LEU . 3.3 mm? -97.26 142.96 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.661 HD13 HG12 ' A' ' 136' ' ' ILE . 18.4 mt -61.94 -40.41 95.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.01 -42.85 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.11 -39.89 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.79 -38.87 89.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -64.01 -46.32 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -69.97 -43.81 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -56.14 -46.75 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 52.5 mtt -94.97 -9.49 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 86.87 -34.23 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 39.1 mt -48.75 153.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 161.83 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.6 m -64.96 -48.1 75.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -66.83 -43.98 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.95 -48.58 81.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 121' ' ' LEU . 58.3 mt -61.47 -42.62 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -57.45 -32.15 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -63.93 -47.35 80.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.3 mp -67.79 -48.24 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.05 -37.77 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -42.11 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 106' ' ' LEU . 79.6 mt -69.17 -43.57 73.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 139' ' ' ILE . 64.9 mt -64.11 -32.39 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.6 m -68.67 -46.4 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.24 -17.87 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.22 -18.52 48.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 24.4 m -42.18 -26.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.554 HD23 ' OH ' ' A' ' 160' ' ' TYR . 28.4 mt -144.57 152.09 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.8 t -124.88 127.88 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.49 43.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.78 147.91 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 88.8 mt -114.47 133.08 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.57 171.62 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.22 -8.61 8.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -101.41 22.98 11.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 51.33 25.12 11.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.8 ' HE3' HG13 ' A' ' 118' ' ' VAL . 1.5 tmtp? -86.56 142.05 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.426 ' N ' ' HD3' ' A' ' 157' ' ' LYS . 30.6 t80 -104.46 122.41 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 26.5 mt -120.01 113.51 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.554 ' OH ' HD23 ' A' ' 148' ' ' LEU . 11.4 t80 -107.31 146.75 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 35.1 mt -121.29 101.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 163' ' ' PRO . 82.4 m -98.08 139.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.4 Cg_endo -69.8 115.8 4.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 14.3 m -163.45 153.33 15.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 47.04 -158.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 168' ' ' SER . 85.6 p -83.97 -32.02 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 167' ' ' SER . 88.4 p 37.12 41.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -81.45 165.56 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -100.53 146.12 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.53 -152.46 8.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.1 t -93.04 142.87 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -70.47 -38.26 74.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.11 -37.08 9.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -55.54 -34.44 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -64.45 -46.29 83.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.77 -34.75 77.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 29.8 t80 -67.93 -43.62 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 HD21 ' A' ' 148' ' ' LEU . 62.2 mt -65.17 -46.78 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -53.82 -44.41 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -61.64 -43.19 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.78 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 55.7 mt -62.72 -37.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 160' ' ' TYR . 32.8 mmtt -65.36 -50.22 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.7 ptmt -66.75 -42.55 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.517 ' HB2' HG22 ' A' ' 119' ' ' VAL . 36.2 p -70.2 114.27 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -61.66 -60.4 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.22 113.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 116' ' ' SER . 13.5 t -117.42 133.22 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.802 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -95.8 135.9 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD22 HG12 ' A' ' 136' ' ' ILE . 31.3 mt -60.66 -42.27 96.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.802 ' H ' HD23 ' A' ' 120' ' ' LEU . 17.3 mt-10 -65.0 -36.01 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -74.98 -35.18 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.624 HD21 ' CE1' ' A' ' 109' ' ' PHE . 41.9 tp -62.16 -39.85 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -62.27 -46.43 88.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.6 t80 -70.01 -46.95 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -56.0 -46.25 78.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 mtt -96.95 -1.42 45.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.53 -44.46 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.527 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 42.6 mt -41.83 154.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -71.34 151.8 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 25.2 m -55.2 -47.69 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -66.43 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.67 -49.01 79.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.83 92.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.583 HG12 HD22 ' A' ' 121' ' ' LEU . 68.3 mt -60.15 -42.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -55.91 -42.69 76.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -41.95 75.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 124' ' ' LEU . 38.0 mt -62.93 -41.93 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.2 -41.24 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.27 -42.69 96.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.67 -35.52 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 148' ' ' LEU . 11.7 mt -70.97 -31.71 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 86.3 m -67.21 -42.18 84.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.33 -18.33 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 106.87 -22.58 29.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 91.8 m -40.12 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 143' ' ' LEU . 32.6 mt -145.89 139.07 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 89.9 m -123.63 121.94 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.99 43.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.56 153.88 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 49.6 mt -126.55 119.43 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.79 176.86 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.55 2.41 19.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -91.28 20.33 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.18 39.5 34.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 158' ' ' PHE . 4.8 tppt? -120.92 147.04 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 46.6 t80 -104.46 122.05 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.22 113.03 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 28.8 t80 -97.5 128.44 44.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 46.9 mt -114.24 110.33 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -108.09 141.17 22.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 137.87 36.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.5 m 57.82 31.71 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -106.65 -94.98 2.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -2.34 10.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.1 t -42.28 124.26 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 19.7 m -45.84 130.77 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.0 t -109.06 128.38 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.6 t -141.67 111.97 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 57.17 52.74 49.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.537 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 t -106.64 170.44 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.4 m -40.79 146.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.815 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.63 -61.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -63.57 -37.21 86.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.37 -47.71 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -63.83 -46.27 85.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.87 -36.16 79.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 52.8 t80 -64.76 -42.45 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.402 ' CG2' ' HE3' ' A' ' 114' ' ' LYS . 50.7 mt -69.27 -52.51 32.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -55.67 -35.52 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -68.31 -41.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.645 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.3 mt -62.61 -36.07 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HE3' ' CG2' ' A' ' 110' ' ' ILE . 1.8 mptm? -63.81 -48.74 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -64.55 -42.57 95.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.581 ' HB2' HG22 ' A' ' 119' ' ' VAL . 12.1 p -70.33 102.88 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -48.64 -55.73 10.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 81.3 t -125.82 117.25 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 116' ' ' SER . 16.0 t -116.97 131.77 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.97 141.28 31.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.23 -42.1 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.12 -43.06 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.45 -37.33 71.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 139' ' ' ILE . 35.8 tp -60.25 -39.16 85.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -63.0 -46.96 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -69.08 -44.66 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 1.4 tm0? -55.69 -45.43 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.5 mtt -95.74 -4.29 44.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.29 -42.94 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt -42.32 162.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -78.47 159.58 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.3 m -55.34 -45.5 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -68.98 -38.32 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.27 -48.94 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.03 -41.98 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -56.03 -44.39 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -63.76 -45.37 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 124' ' ' LEU . 62.9 mt -63.1 -43.17 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -56.62 -36.06 69.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -68.27 -35.31 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 148' ' ' LEU . 71.7 mt -70.75 -46.4 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 148' ' ' LEU . 2.2 mm? -63.97 -34.75 78.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.88 -46.41 78.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.02 -16.76 61.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.89 -15.41 61.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 87.0 m -41.1 -32.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 160' ' ' TYR . 35.8 mt -133.72 151.43 51.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.9 t -133.11 127.23 33.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.98 174.42 43.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.18 139.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 157' ' ' LYS . 65.9 mt -116.04 119.34 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.52 176.71 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.09 25.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.33 -16.26 14.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.84 41.31 5.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 152' ' ' ILE . 44.6 mtpt -127.86 158.92 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -109.63 126.34 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.0 mt -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.61 ' CE1' HD22 ' A' ' 148' ' ' LEU . 45.0 t80 -108.26 143.7 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 65.4 mt -128.2 150.58 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -161.85 141.18 7.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.59 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.3 t 57.48 29.89 17.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.826 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -149.09 177.16 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.7 t -51.01 124.53 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 73.0 m -135.11 137.31 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 m -102.81 105.92 16.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.3 t -60.99 -46.66 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.83 79.84 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.542 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -52.46 130.87 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 t -73.21 119.17 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.44 41.16 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -70.63 -34.13 71.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.32 -47.8 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.3 m -66.27 -46.34 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -67.74 -37.37 82.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.642 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 12.6 t80 -63.86 -44.78 92.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.787 HG23 HD21 ' A' ' 148' ' ' LEU . 63.7 mt -68.56 -39.94 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -54.19 -44.41 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 116' ' ' SER . 4.1 t80 -62.72 -38.93 92.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.642 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 74.3 mt -67.08 -37.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -65.19 -50.39 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 116' ' ' SER . 19.3 pttt -72.29 -39.1 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.523 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 9.5 t -69.97 107.95 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.75 -48.63 74.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.99 118.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG22 ' OG ' ' A' ' 116' ' ' SER . 13.1 t -117.12 126.74 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 120' ' ' LEU . 3.3 mm? -98.47 144.01 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.59 -40.01 84.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.97 -43.03 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.99 -37.58 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 109' ' ' PHE . 32.3 tp -61.75 -44.07 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.08 -45.93 92.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -69.0 -41.81 77.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -58.96 -46.02 89.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.1 mtt -100.05 4.18 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 77.83 -47.05 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.54 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 45.1 mt -38.51 153.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.48 157.02 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.8 m -56.58 -47.82 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.43 ' HA ' HD12 ' A' ' 136' ' ' ILE . 73.0 tp60 -67.68 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.07 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 133' ' ' GLN . 62.4 mt -60.02 -41.96 88.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -56.09 -43.8 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.33 83.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.57 -40.0 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -61.08 -40.2 92.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.55 -40.93 84.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.61 -43.03 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 148' ' ' LEU . 32.3 mt -63.94 -33.36 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.5 m -68.34 -44.62 74.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.37 -20.84 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . 105.54 -27.22 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.1 m -36.0 -33.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.787 HD21 HG23 ' A' ' 110' ' ' ILE . 27.7 mt -133.17 145.67 50.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 92.7 m -126.88 122.31 34.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.89 175.02 43.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.19 152.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.68 119.22 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 169.08 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.85 0.1 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -7.65 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.46 34.54 25.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -119.23 151.46 38.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -105.6 124.58 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.22 113.07 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.595 ' OH ' HD23 ' A' ' 148' ' ' LEU . 13.3 t80 -97.84 150.66 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 64.3 mt -113.75 84.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -110.78 141.16 23.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.72 40.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 21.0 t -55.27 170.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 116.92 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 13.9 t -41.62 -54.61 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 t -98.23 156.0 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.7 m -75.79 150.14 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.7 p -46.22 -61.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.86 167.48 54.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.1 p -94.55 79.44 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.818 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.5 p -79.23 121.47 25.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.33 -44.82 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -60.06 -34.73 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 78.8 mt -69.72 -47.38 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 -45.18 81.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.84 -34.17 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.895 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 17.9 t80 -68.8 -48.55 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.727 HG23 HD21 ' A' ' 148' ' ' LEU . 68.1 mt -62.02 -49.94 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.43 -39.9 64.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.8 -44.96 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 35.5 mt -63.22 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.91 -50.17 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -72.05 -42.17 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 m -69.95 113.91 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -58.51 -55.05 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.6 t -127.94 124.46 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.4 t -120.15 125.84 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.774 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -88.05 136.41 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.56 -42.32 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.774 ' H ' HD23 ' A' ' 120' ' ' LEU . 37.0 mt-10 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -74.96 -36.77 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.73 -44.84 96.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -65.98 -36.3 82.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 9.4 t80 -69.97 -50.0 46.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -65.07 -46.82 79.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 32.0 mtt -89.23 -1.45 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 125' ' ' ALA . . . 75.33 -47.57 2.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 62.7 mt -36.83 153.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -69.71 155.64 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.6 m -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -63.52 -41.08 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -58.22 -47.24 84.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.95 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 53.7 mt -61.11 -46.81 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.34 -39.73 76.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -63.49 -47.45 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.539 HG21 ' CE1' ' A' ' 158' ' ' PHE . 39.1 mt -63.64 -47.68 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.46 -38.8 72.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.39 -46.95 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 158' ' ' PHE . 92.6 mt -65.39 -36.03 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.4 m -68.25 -43.15 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.51 -18.9 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.89 -26.23 24.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 47.8 m -38.44 -34.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.727 HD21 HG23 ' A' ' 110' ' ' ILE . 29.4 mt -135.17 155.07 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.4 p -128.86 123.5 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.98 172.66 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.49 151.9 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 89.1 mt -123.43 125.97 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.5 175.73 7.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.06 -18.73 65.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -86.29 -2.14 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 70.97 31.58 66.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -88.92 147.32 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.613 ' HE2' HG21 ' A' ' 113' ' ' ILE . 6.0 t80 -104.26 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 48.7 mt -133.09 113.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.565 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -101.83 136.52 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 20.0 mt -114.72 79.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 163' ' ' PRO . 84.5 m -71.0 139.25 85.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 162' ' ' THR . 54.0 Cg_endo -69.8 102.99 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 165' ' ' GLY . 67.0 p -155.68 154.17 31.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 164' ' ' SER . . . -36.84 153.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 101.8 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 59.4 p -134.62 135.82 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 20.3 m -92.15 -53.47 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.532 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 94.9 p 38.61 41.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 m -115.32 113.71 24.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.814 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.47 170.0 3.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.5 p -98.52 95.23 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.9 p -119.15 174.28 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.19 -38.22 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HE2' HD11 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -63.87 -41.69 97.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 107' ' ' THR . 3.9 pp -70.24 -43.22 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 106' ' ' LEU . 43.0 m -66.36 -46.44 76.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -38.69 83.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.678 ' HE1' HD11 ' A' ' 124' ' ' LEU . 32.2 t80 -66.04 -48.79 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.55 -46.01 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -55.32 -36.52 66.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.86 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 109' ' ' PHE . 67.3 mt -67.25 -40.76 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -53.85 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -72.14 -42.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.2 m -70.01 101.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.63 -44.91 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.3 119.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.01 133.06 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -98.6 137.73 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 158' ' ' PHE . 20.8 mt -68.02 -42.04 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.0 -43.09 93.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.09 -38.78 61.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD11 ' HE1' ' A' ' 109' ' ' PHE . 15.4 tp -62.18 -39.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -46.95 88.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.93 -42.36 73.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.433 ' CD ' ' C ' ' A' ' 127' ' ' GLN . 1.8 tm0? -55.81 -47.01 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.2 mtt -95.2 -5.04 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 83.44 -37.33 2.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 105' ' ' PHE . 37.9 mt -45.03 161.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -76.27 153.31 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.1 m -57.17 -43.53 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.422 ' HG3' ' ND2' ' A' ' 137' ' ' ASN . 17.5 tp60 -68.83 -44.85 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.55 -49.03 78.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.48 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.659 HG12 HD22 ' A' ' 121' ' ' LEU . 66.8 mt -61.07 -50.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 133' ' ' GLN . 84.4 m-20 -61.29 -36.87 81.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -68.56 -37.29 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 124' ' ' LEU . 49.8 mt -69.56 -49.08 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.456 ' HA ' HD13 ' A' ' 143' ' ' LEU . 12.9 mm-40 -55.44 -34.37 64.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.29 -32.76 73.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.95 -36.54 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 140' ' ' GLN . 4.3 mp -63.94 -33.21 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 92.7 m -66.91 -38.44 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -80.73 10.56 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.68 20.26 69.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.9 m -80.12 -38.07 32.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 160' ' ' TYR . 54.1 mt -134.19 147.27 50.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.0 m -126.07 121.96 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -169.01 174.81 43.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.86 144.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 71.2 mt -110.87 115.6 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -76.33 177.74 7.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.16 13.62 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -95.54 -0.35 52.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.49 43.42 86.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -130.6 161.2 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.703 ' HB2' HD21 ' A' ' 121' ' ' LEU . 15.3 t80 -104.06 122.0 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.05 113.41 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 148' ' ' LEU . 72.4 t80 -110.95 137.33 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.02 120.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -131.21 141.13 40.76 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.581 0.705 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 177.08 5.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.4 m 48.94 32.13 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -76.71 146.26 32.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.68 8.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.1 t -47.08 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.7 t -109.82 138.63 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.9 m -94.87 139.82 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -124.22 153.57 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.31 81.64 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -103.23 -58.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -57.65 127.01 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.05 -52.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 130' ' ' LEU . 20.1 t80 -55.16 -43.5 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.04 -46.93 82.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.2 m -62.21 -46.24 89.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.28 -40.46 86.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 113' ' ' ILE . 5.0 t80 -65.69 -42.05 91.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 148' ' ' LEU . 82.8 mt -68.93 -44.68 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.5 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -66.6 -35.11 79.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 109' ' ' PHE . 56.6 mt -68.19 -45.03 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HE2' HG22 ' A' ' 110' ' ' ILE . 27.2 mttt -54.33 -50.1 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -72.14 -41.96 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.1 m -69.89 97.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -43.89 -49.61 8.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.2 t -128.01 135.34 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.57 126.02 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.28 143.95 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.69 HD22 HG12 ' A' ' 136' ' ' ILE . 19.7 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -36.42 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 109' ' ' PHE . 48.2 tp -61.99 -37.79 86.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.97 -46.86 76.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 1.9 t80 -70.01 -39.71 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.09 -46.92 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.5 mtt -103.4 -1.89 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 81.37 -36.42 2.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 105' ' ' PHE . 44.5 mt -40.59 153.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -64.75 151.51 45.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 24.0 m -56.47 -48.83 76.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.73 -39.0 90.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.42 -48.87 79.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.69 HG12 HD22 ' A' ' 121' ' ' LEU . 65.3 mt -60.67 -42.42 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.89 -38.77 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -66.55 -39.8 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.53 -48.48 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.21 -38.54 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -68.62 -46.53 69.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.45 -36.71 85.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 148' ' ' LEU . 38.4 mt -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.9 m -69.43 -40.07 77.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -74.52 -20.52 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.8 -18.83 45.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.2 m -45.09 -27.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.737 ' O ' HD23 ' A' ' 143' ' ' LEU . 23.1 mt -139.59 143.8 37.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 34.5 m -116.97 122.38 44.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.14 174.55 42.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.74 149.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.84 129.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -94.23 176.41 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.88 0.1 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -105.08 23.8 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.01 42.75 6.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -109.28 148.71 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.609 ' HE1' HD11 ' A' ' 143' ' ' LEU . 12.9 t80 -106.66 123.81 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.0 mt -121.64 115.5 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.647 ' OH ' HD23 ' A' ' 148' ' ' LEU . 6.7 t80 -108.94 141.19 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 54.5 mt -118.61 100.86 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 163' ' ' PRO . 1.6 m -109.09 136.66 20.07 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 162' ' ' THR . 53.7 Cg_endo -69.83 118.87 5.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.7 m -157.78 138.67 13.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.05 -158.15 32.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 171.41 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 89.6 p -49.59 160.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 49.1 m -161.04 137.7 8.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 t -90.7 158.76 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -50.87 -52.97 36.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.22 -112.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t 38.67 37.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -87.54 -63.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.49 52.02 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.64 -35.49 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.568 ' H ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -70.27 -45.85 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.0 m -58.82 -46.38 87.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 12.5 pt-20 -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.739 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 26.6 t80 -64.1 -46.52 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.12 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -53.45 -41.59 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.96 -37.62 86.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.739 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 63.5 mt -68.06 -39.13 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.96 -50.19 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -72.21 -42.26 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -70.07 103.08 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -60.77 -35.54 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 94.9 t -128.05 112.27 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.1 t -117.79 124.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.97 142.22 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.552 HD13 HG12 ' A' ' 136' ' ' ILE . 36.0 mt -68.07 -41.98 81.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.99 -42.36 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.28 -40.44 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.638 HD21 ' CE1' ' A' ' 109' ' ' PHE . 51.4 tp -56.13 -41.65 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -60.98 -44.66 97.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.52 -46.28 80.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 36.6 mtt -101.98 -6.79 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 88.96 -37.82 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 134' ' ' ASP . 96.8 mt -38.32 152.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -65.15 153.93 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.1 m -55.52 -47.08 76.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -68.95 -43.26 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 130' ' ' LEU . 19.3 t70 -59.09 -47.89 83.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -61.83 -45.73 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 121' ' ' LEU . 76.1 mt -60.89 -42.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -55.91 -33.72 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -63.7 -47.68 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 135' ' ' ALA . 5.4 mp -67.58 -42.36 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -56.06 -40.91 74.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -68.81 -41.21 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.36 -46.53 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 148' ' ' LEU . 32.0 mt -64.79 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 85.8 m -68.04 -39.32 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.36 -20.17 59.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 147' ' ' THR . . . 106.47 -28.71 12.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 146' ' ' GLY . 94.3 m -36.02 -36.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.336 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 160' ' ' TYR . 33.4 mt -133.34 156.25 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.6 p -132.66 122.97 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -162.37 174.8 38.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 27.2 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 80.2 mt -123.67 134.89 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -99.42 173.56 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -56.46 -14.69 3.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -94.67 23.95 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 45.27 28.4 2.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -87.92 140.46 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -107.58 122.53 46.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 56.2 mt -117.56 116.51 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.591 ' CE1' HD22 ' A' ' 148' ' ' LEU . 58.7 t80 -104.87 120.04 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.4 mt -78.73 115.59 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -167.95 141.16 2.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.566 0.698 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 108.79 2.15 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.5 m -103.26 104.68 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -40.97 -83.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.5 t 42.49 40.84 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.7 t -109.7 87.34 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.455 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.7 p -105.53 167.1 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.6 m -132.6 103.19 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.68 -156.25 8.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -64.34 -44.45 91.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -75.7 130.88 39.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 168.35 -46.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.1 -33.15 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.681 ' H ' HD12 ' A' ' 106' ' ' LEU . 3.9 mp -69.08 -46.68 67.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -65.21 -45.88 82.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.29 -34.08 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 4.0 t80 -68.03 -48.51 65.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.75 -39.02 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -54.95 -33.65 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -65.5 -46.23 80.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 59.7 mt -66.86 -43.66 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.95 -47.61 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -71.05 -42.19 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -70.12 -174.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -125.96 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.47 110.63 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.99 125.84 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 122' ' ' GLU . 0.9 OUTLIER -97.95 144.1 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 HG12 ' A' ' 136' ' ' ILE . 23.1 mt -55.85 -42.17 75.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.8 tt0 -64.96 -42.98 94.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.58 -40.02 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.38 -43.44 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -61.84 -46.58 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 126' ' ' PHE . 3.8 t80 -68.19 -42.42 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.04 -46.34 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.0 mtt -91.71 -3.98 55.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.83 -38.46 3.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.483 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 31.9 mt -45.88 159.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -75.1 158.28 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.3 m -62.36 -46.72 87.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.94 -37.4 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -48.95 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.05 98.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.806 HG12 HD13 ' A' ' 121' ' ' LEU . 68.1 mt -60.01 -42.15 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -56.93 -43.92 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -45.36 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.46 ' O ' HD23 ' A' ' 143' ' ' LEU . 28.2 mt -60.17 -45.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -56.0 -39.32 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.42 -35.51 81.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.58 -50.09 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 148' ' ' LEU . 4.1 mm? -64.07 -31.91 73.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 36.8 m -69.46 -47.55 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.63 -20.19 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.6 -22.34 30.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.9 m -38.29 -35.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.757 HD22 ' CE1' ' A' ' 160' ' ' TYR . 44.9 mt -134.25 151.49 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 69.2 p -128.7 122.3 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -168.38 175.0 43.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.38 158.45 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 92.0 mt -126.48 133.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -102.87 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -49.53 -22.55 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -89.09 21.98 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 43.28 36.23 2.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.36 144.23 26.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -103.93 135.72 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.26 114.34 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.757 ' CE1' HD22 ' A' ' 148' ' ' LEU . 15.7 t80 -105.81 133.15 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.96 108.57 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -133.72 141.15 38.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.533 0.683 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 9.0 t -101.67 -47.54 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 156.06 -87.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.35 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 67.9 m -96.92 162.34 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 44.2 p -143.4 151.11 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.7 p -158.51 134.39 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 m -103.18 137.09 41.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.19 -107.37 2.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.9 t -57.7 145.02 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.8 t -127.12 -50.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.17 -38.25 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.54 -39.05 86.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.24 -47.02 81.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.2 m -65.91 -44.6 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.27 -33.36 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 21.6 t80 -66.48 -44.48 82.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.8 -46.21 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -55.87 -39.56 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -64.79 -39.85 94.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.691 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 70.9 mt -64.91 -37.6 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -58.11 -50.14 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -72.07 -41.92 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -69.99 111.64 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' VAL . 14.9 ptpt -67.89 -41.44 82.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 90.2 t -127.98 114.82 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.1 t -117.12 126.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD13 ' HD3' ' A' ' 157' ' ' LYS . 51.4 tp -98.21 134.57 41.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.673 HD22 HG12 ' A' ' 136' ' ' ILE . 26.1 mt -59.92 -41.82 92.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.27 -42.94 99.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.85 -30.91 61.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.03 -46.81 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 130' ' ' LEU . . . -64.51 -41.5 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -69.93 -43.8 70.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.99 -45.87 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.9 mtt -94.35 -5.16 47.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 84.71 -42.61 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.557 ' O ' ' HB1' ' A' ' 125' ' ' ALA . 61.7 mt -39.24 150.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -60.68 160.62 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 89.5 m -62.42 -48.93 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -67.42 -38.53 84.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -47.73 84.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 139' ' ' ILE . . . -63.85 -44.45 93.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.673 HG12 HD22 ' A' ' 121' ' ' LEU . 87.0 mt -62.19 -42.32 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -56.89 -32.28 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 3.9 mmm180 -65.22 -48.97 71.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 135' ' ' ALA . 4.9 mp -63.45 -38.88 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -55.98 -43.27 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.4 -34.64 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.914 HD13 HD12 ' A' ' 148' ' ' LEU . 26.0 mt -69.8 -48.81 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 148' ' ' LEU . 3.0 mm? -65.74 -32.62 74.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 96.1 m -71.52 -40.93 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -78.45 -20.88 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.16 -22.92 33.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 88.0 m -38.5 -39.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.164 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 142' ' ' LEU . 20.2 mt -130.09 150.99 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 54.9 m -128.84 126.84 40.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' HD11 ' A' ' 143' ' ' LEU . . . -166.55 174.92 42.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 35.4 m -127.28 145.25 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 64.0 mt -112.61 133.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -97.34 170.99 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -12.41 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -93.47 23.46 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 44.67 35.76 4.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.467 ' HD3' HD13 ' A' ' 120' ' ' LEU . 20.8 mmmt -100.07 145.99 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.54 122.85 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.0 114.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -104.87 138.9 40.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.51 142.51 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 1.3 t -166.51 141.15 3.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.66 3.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.0 m -40.0 119.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -118.93 -159.45 11.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.36 3.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 168' ' ' SER . 28.8 m -41.32 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 167' ' ' SER . 26.8 m -35.15 138.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.6 p 43.96 41.98 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.7 p -105.76 43.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.9 93.56 1.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 p -44.91 -30.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -173.29 112.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.21 55.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.434 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -69.02 -47.73 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -66.34 -46.31 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.68 -33.08 74.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 50.5 t80 -64.34 -43.5 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 148' ' ' LEU . 57.8 mt -69.27 -38.09 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -53.03 -27.82 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.6 -43.7 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.52 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 23.8 mt -68.41 -45.58 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' A' ' 110' ' ' ILE . 1.8 mmmm -54.03 -50.17 67.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.19 -42.13 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -70.08 116.38 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.41 -52.52 64.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -127.38 117.46 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.36 134.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.9 tp -98.71 141.13 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.4 mt -64.1 -42.02 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.96 -43.01 94.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.01 -34.9 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 139' ' ' ILE . 61.6 tp -60.36 -37.52 80.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 129' ' ' GLY . . . -65.71 -46.97 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -69.48 -39.78 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.3 -46.71 72.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.4 mtt -99.05 -6.96 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 125' ' ' ALA . . . 87.16 -36.03 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.3 mt -42.45 165.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -77.54 155.8 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.0 m -56.73 -48.03 78.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -67.87 -40.84 83.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.95 -47.41 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.51 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 50.0 mt -60.47 -42.03 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.95 -40.26 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -66.12 -47.36 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.621 HD11 ' CD2' ' A' ' 124' ' ' LEU . 44.3 mt -62.72 -46.96 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -57.06 -40.32 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.8 -45.2 83.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.61 -45.13 84.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 148' ' ' LEU . 25.6 mt -64.73 -36.3 83.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.0 m -62.09 -45.83 91.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.04 -19.07 62.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.36 -15.68 42.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.8 m -42.48 -29.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 160' ' ' TYR . 55.3 mt -142.52 157.6 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 37.5 p -133.8 122.94 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -163.88 172.2 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.87 151.68 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 68.3 mt -110.57 132.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.43 174.04 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.55 -9.75 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -97.9 19.44 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 50.67 28.07 14.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -93.29 144.06 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 143' ' ' LEU . 16.6 t80 -105.86 122.61 46.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 52.2 mt -113.02 119.03 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . 0.758 ' CE1' HD22 ' A' ' 148' ' ' LEU . 74.4 t80 -107.73 124.39 49.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 48.0 mt -97.59 97.71 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 163' ' ' PRO . 82.9 m -76.4 139.22 67.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 162' ' ' THR . 53.4 Cg_endo -69.81 148.0 63.79 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.1 p -114.12 -36.52 4.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 103.09 -158.85 17.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 15.4 t -164.31 154.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 89.0 p -120.53 143.74 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.991 . . . . . . . . 0 0 . 1 stop_ save_