data_2mn8_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 2mn8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 74.5 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -45.39 94.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.882 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -23.25 62.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 40.34 112.473 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.42 -29.35 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 71.4 111.106 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -35.87 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.894 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.92 -30.41 58.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 64.31 111.077 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.7 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.58 -42.76 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.065 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.44 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.48 60.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.216 -0.693 0 CA-C-O 118.437 -0.792 . . . . 73.54 110.89 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.843 0.354 . . . . 74.42 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -48.38 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.882 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.98 -20.12 62.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 60.12 112.49 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.67 -28.36 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 73.51 111.082 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -32.36 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 -27.24 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 51.42 111.081 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -26.01 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 74.03 110.919 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.81 -42.02 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.55 111.094 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.58 -38.17 55.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.128 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.02 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 75.11 111.113 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.438 -0.791 . . . . 72.55 110.861 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.851 0.358 . . . . 74.44 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -49.33 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.24 -25.85 55.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 73.11 112.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.96 -33.06 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 75.13 111.122 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -37.17 84.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.01 -25.43 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.116 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -27.03 62.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.15 -42.17 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 63.21 111.134 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.97 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.088 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.99 -25.33 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 118.37 -0.824 . . . . 74.13 110.887 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 70.4 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -37.61 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 -22.59 78.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 63.21 112.477 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.81 -47.45 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 75.44 111.073 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -31.78 73.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.02 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.43 75.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.078 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -35.02 70.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.889 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.77 -42.59 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 75.14 111.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.71 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.51 111.093 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -9.98 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 71.12 111.093 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 118.394 -0.812 . . . . 72.45 110.892 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 74.12 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.58 -26.89 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.877 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -18.7 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 64.23 112.493 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.98 -29.35 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 70.14 111.156 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -35.45 59.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.928 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.63 57.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.45 111.095 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.15 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.96 -42.81 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.5 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.12 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.34 111.09 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.43 111.111 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 118.342 -0.837 . . . . 74.52 110.846 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 74.41 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -46.03 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.878 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.46 87.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 75.32 112.452 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.44 -35.59 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 63.3 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -35.57 70.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 -32.49 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 64.31 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -26.2 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.72 -43.42 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.32 111.102 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.06 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.92 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.136 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--O 1.216 -0.658 0 CA-C-O 118.398 -0.811 . . . . 75.25 110.87 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.803 0.335 . . . . 74.43 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -41.12 63.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.841 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 -32.16 75.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 74.43 112.454 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 72.33 111.163 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.53 -39.74 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.076 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.87 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.927 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.48 -42.1 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.126 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -26.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.1 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.24 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.23 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 118.35 -0.833 . . . . 74.54 110.853 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.826 0.346 . . . . 74.32 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -41.92 77.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -29.55 73.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 63.34 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.08 -41.98 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 74.43 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -57.4 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.1 68.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.12 111.106 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.89 -43.65 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.139 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.16 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.141 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -1.54 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 75.31 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 118.423 -0.799 . . . . 73.33 110.836 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 74.1 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -41.65 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.53 110.9 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.39 -25.5 71.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 64.32 112.494 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.4 -53.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 74.45 111.192 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -28.7 58.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.88 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.33 -25.31 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 65.21 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.897 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.38 -42.05 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 75.54 111.139 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -25.19 58.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 55.23 111.09 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.19 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.075 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 . . . . . 0 C--O 1.216 -0.673 0 CA-C-O 118.404 -0.808 . . . . 74.23 110.883 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.836 0.351 . . . . 74.11 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.8 -26.44 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 70.14 110.899 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 -18.32 45.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 42.3 112.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -84.81 -26.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 73.12 111.128 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -26.03 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.916 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.15 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.067 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.864 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.25 -42.12 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.131 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -23.89 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.093 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.98 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.122 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.405 -0.807 . . . . 71.23 110.863 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.877 0.37 . . . . 73.33 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.62 -31.79 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.895 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 -18.1 58.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 74.14 112.464 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -90.62 -36.81 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 73.43 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -32.42 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.52 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.14 72.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.42 111.134 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -28.9 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.98 -42.45 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 73.15 111.12 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -23.55 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 63.41 111.08 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.24 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 118.376 -0.821 . . . . 74.31 110.875 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 74.12 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -42.37 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.88 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.37 76.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.498 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.15 -23.13 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 72.31 111.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.42 -39.73 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.912 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.6 61.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.081 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -30.55 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.884 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.78 -42.45 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.077 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.51 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 62.14 111.074 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.4 -21.43 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 . . . . . 0 C--O 1.215 -0.74 0 CA-C-O 118.388 -0.815 . . . . 75.31 110.824 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 71.45 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -36.2 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.853 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -27.02 61.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.63 -29.07 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 74.33 111.167 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -26.28 68.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.54 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.037 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -32.2 26.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 74.15 110.853 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.9 -42.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.181 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.04 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 73.42 111.095 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.38 -27.34 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 62.04 111.043 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 118.404 -0.808 . . . . 74.11 110.867 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.36 . . . . 73.55 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -55.25 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.66 41.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 64.14 112.494 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.22 -25.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 74.12 111.142 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -49.54 67.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.34 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.088 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -30.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 73.24 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.93 -42.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.32 111.098 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.49 -25.32 61.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.113 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.89 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.52 111.053 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.215 -0.723 0 CA-C-O 118.39 -0.814 . . . . 73.14 110.845 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 71.21 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.28 49.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.51 -32.95 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 74.13 112.458 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -28.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 75.22 111.136 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -28.6 69.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.18 74.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.55 111.099 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -30.81 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 63.31 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.67 -41.74 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 61.44 111.084 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.64 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 71.33 111.103 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.2 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.076 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 118.448 -0.787 . . . . 75.43 110.884 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.883 0.373 . . . . 62.55 110.949 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -42.71 70.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.908 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.86 96.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 45.31 112.499 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.67 -23.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.24 111.144 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -91.59 -39.82 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 63.24 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.89 -24.86 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 64.25 111.133 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.41 -27.0 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.03 -42.06 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 65.34 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.94 -25.31 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.1 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.376 -0.821 . . . . 61.45 110.888 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.364 . . . . 73.13 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.11 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -19.37 59.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 73.45 112.527 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.41 -23.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 74.13 111.131 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.6 -39.76 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.89 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 70.34 111.136 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -39.56 77.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.865 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.3 -41.85 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.14 -24.91 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.13 111.049 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.16 -23.72 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 65.31 111.108 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.3 t60 . . . . . 0 C--O 1.216 -0.697 0 CA-C-O 118.409 -0.805 . . . . 73.2 110.838 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 75.21 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.2 -26.92 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.889 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -17.72 46.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 74.14 112.483 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.99 -23.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 74.42 111.143 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.6 -39.67 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.29 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 42.44 111.117 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -37.31 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.66 -42.55 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.14 111.161 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.1 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.125 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.38 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.1 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 118.4 -0.81 . . . . 73.11 110.841 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 73.2 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -33.99 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -26.62 57.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 54.3 112.478 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.62 -31.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 74.03 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -43.51 97.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -26.1 38.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 70.42 111.073 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -26.37 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.882 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.23 -42.49 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.146 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.51 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 73.45 111.134 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.31 4.54 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 118.404 -0.807 . . . . 72.21 110.818 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.839 0.352 . . . . 71.5 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -40.07 65.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.908 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 -24.22 75.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 74.21 112.509 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.35 -33.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 72.24 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -36.72 82.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.905 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.37 -25.78 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.04 111.055 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -42.6 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.92 -42.88 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 70.24 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.23 -25.19 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.31 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.87 -1.56 49.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.45 111.095 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 118.371 -0.824 . . . . 74.13 110.839 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.492 -0.243 . . . . 63.04 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.41 60.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 74.5 110.911 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -45.39 94.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.882 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -23.25 62.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 40.34 112.473 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.42 -29.35 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 71.4 111.106 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -35.87 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.894 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.92 -30.41 58.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 64.31 111.077 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.7 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.58 -42.76 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.065 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.44 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.48 60.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -131.61 76.01 1.68 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 118.437 -0.792 . . . . 73.54 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.22 26.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.832 -1.076 . . . . 72.33 111.131 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.24 -69.1 1.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 74.33 112.499 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.88 -46.17 79.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 64.13 111.08 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -51.62 -33.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.151 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.31 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.083 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.63 55.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -85.01 -43.8 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 62.32 110.852 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.68 34.83 2.32 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-O 121.732 0.777 . . . . 74.24 110.868 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.848 0 CA-C-N 116.155 -0.475 . . . . 71.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.484 -0.246 . . . . 72.44 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.8 -30.87 35.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 74.42 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -48.38 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.882 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.98 -20.12 62.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 60.12 112.49 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.67 -28.36 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 73.51 111.082 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -32.36 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 -27.24 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 51.42 111.081 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -26.01 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 74.03 110.919 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.81 -42.02 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.55 111.094 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.58 -38.17 55.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.128 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.02 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 75.11 111.113 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -125.78 77.59 1.67 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.438 -0.791 . . . . 72.55 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.94 25.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.809 -1.087 . . . . 75.44 111.147 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.56 89.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 73.34 112.486 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.68 -70.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 74.22 111.117 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.74 -34.51 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.3 111.15 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.36 68.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.15 111.128 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -22.57 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.2 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -87.26 -44.31 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.55 -45.23 95.05 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-O 121.775 0.798 . . . . 71.42 110.888 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.841 0 CA-C-N 116.161 -0.472 . . . . 74.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 74.11 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp -73.3 -30.92 63.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.851 0.358 . . . . 74.44 110.916 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -49.33 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.24 -25.85 55.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 73.11 112.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.96 -33.06 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 75.13 111.122 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -37.17 84.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.01 -25.43 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.116 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -27.03 62.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.15 -42.17 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 63.21 111.134 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.97 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.088 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.99 -25.33 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -127.65 57.84 1.51 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 118.37 -0.824 . . . . 74.13 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.02 25.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.846 -1.07 . . . . 75.24 111.124 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.87 -58.03 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 74.52 112.47 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.49 -31.92 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 72.23 111.107 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mm -51.39 -37.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.24 111.121 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.42 -47.99 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -22.5 55.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -87.05 -36.75 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.842 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.1 41.05 1.8 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 121.812 0.815 . . . . 75.13 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.882 0 CA-C-N 116.13 -0.486 . . . . 32.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.485 -0.246 . . . . 65.24 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.91 -45.34 74.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 70.4 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -37.61 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 -22.59 78.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 63.21 112.477 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.81 -47.45 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 75.44 111.073 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -31.78 73.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.02 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.43 75.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.078 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -35.02 70.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.889 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.77 -42.59 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 75.14 111.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.71 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.51 111.093 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -9.98 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 71.12 111.093 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -140.64 69.29 1.35 Allowed 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 118.394 -0.812 . . . . 72.45 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.07 24.78 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.819 -1.082 . . . . 63.34 111.09 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.56 87.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.722 . . . . 73.33 112.503 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 61.25 111.114 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.0 mt -51.77 -34.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.156 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.98 -51.17 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.117 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -22.61 56.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.843 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.54 -35.6 21.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.879 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -53.62 25.59 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 121.757 0.789 . . . . 73.22 110.876 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.862 0 CA-C-N 116.171 -0.468 . . . . 73.51 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.242 . . . . 74.12 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -20.79 58.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 74.12 110.904 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.58 -26.89 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.877 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -18.7 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 64.23 112.493 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.98 -29.35 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 70.14 111.156 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -35.45 59.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.928 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.63 57.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.45 111.095 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.15 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.96 -42.81 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.5 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.12 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.34 111.09 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.43 111.111 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -129.39 79.28 1.9 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 118.342 -0.837 . . . . 74.52 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.92 24.7 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 114.836 -1.075 . . . . 73.12 111.099 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.61 -47.55 87.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.478 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.69 -71.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 75.41 111.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.69 -35.06 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.32 65.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.42 111.092 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.6 -22.51 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 70.52 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -87.72 -38.69 15.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.834 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.1 -14.19 62.79 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 121.769 0.795 . . . . 74.04 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.857 0 CA-C-N 116.143 -0.481 . . . . 51.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.511 -0.236 . . . . 72.23 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -34.62 76.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 74.41 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -46.03 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.878 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.46 87.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 75.32 112.452 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.44 -35.59 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 63.3 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -35.57 70.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 -32.49 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 64.31 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -26.2 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.72 -43.42 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.32 111.102 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.06 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.92 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.136 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -125.6 73.9 1.36 Allowed 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 118.398 -0.811 . . . . 75.25 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.75 25.06 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.831 -1.077 . . . . 73.14 111.151 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.71 -57.64 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 75.31 112.527 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.15 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 71.1 111.084 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mm -51.49 -41.76 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.122 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.61 76.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 55.32 111.078 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -22.56 55.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -85.37 -31.49 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.61 -8.07 59.48 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 121.758 0.79 . . . . 65.2 110.851 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.898 0 CA-C-N 116.176 -0.465 . . . . 55.11 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.519 -0.233 . . . . 63.41 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.74 -34.67 78.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 74.43 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -41.12 63.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.841 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 -32.16 75.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 74.43 112.454 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 72.33 111.163 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.53 -39.74 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.076 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.87 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.927 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.48 -42.1 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.126 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -26.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.1 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.24 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.23 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -153.77 63.99 0.73 Allowed 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.35 -0.833 . . . . 74.54 110.853 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -103.04 25.78 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.799 -1.091 . . . . 75.42 111.145 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.6 89.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 74.32 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -70.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.302 . . . . 72.42 111.073 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.5 mt -51.72 -35.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.132 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.81 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.23 111.056 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -22.5 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.871 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -90.92 -33.68 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.2 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.56 -28.18 62.67 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-O 121.792 0.806 . . . . 73.5 110.869 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.123 -0.49 . . . . 21.15 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.484 -0.246 . . . . 70.22 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.51 -37.84 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 74.32 110.908 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -41.92 77.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -29.55 73.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 63.34 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.08 -41.98 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 74.43 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -57.4 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.1 68.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.12 111.106 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.89 -43.65 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.139 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.16 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.141 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -1.54 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 75.31 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -144.54 67.59 1.26 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.423 -0.799 . . . . 73.33 110.836 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.5 25.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.838 -1.074 . . . . 74.15 111.086 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.06 -47.61 88.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 60.42 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -71.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.7 0.286 . . . . 64.54 111.073 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.79 -33.6 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.31 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.52 111.123 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.44 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 74.03 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -91.03 -33.23 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.69 43.86 1.86 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 121.817 0.818 . . . . 73.35 110.905 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.12 -0.491 . . . . 71.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.26 . . . . 74.34 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -40.74 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.1 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -41.65 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.53 110.9 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.39 -25.5 71.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 64.32 112.494 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.4 -53.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 74.45 111.192 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -28.7 58.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.88 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.33 -25.31 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 65.21 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.897 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.38 -42.05 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 75.54 111.139 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -25.19 58.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 55.23 111.09 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.19 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.075 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -125.28 83.39 2.16 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 118.404 -0.808 . . . . 74.23 110.883 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.98 6.9 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 114.857 -1.065 . . . . 75.24 111.126 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.43 -41.95 64.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 74.04 112.532 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 -61.73 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 64.41 111.104 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.23 -36.58 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.42 111.164 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.71 82.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 74.35 111.087 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -22.57 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 74.01 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -46.57 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.52 110.86 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -89.77 10.49 23.3 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 121.74 0.781 . . . . 74.41 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.857 0 CA-C-N 116.176 -0.465 . . . . 71.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.534 -0.226 . . . . 64.25 112.534 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.81 -20.57 57.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.836 0.351 . . . . 74.11 110.915 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.8 -26.44 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 70.14 110.899 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 -18.32 45.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 42.3 112.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -84.81 -26.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 73.12 111.128 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -26.03 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.916 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.15 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.067 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.864 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.25 -42.12 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.131 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -23.89 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.093 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.98 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.122 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -152.77 57.02 0.8 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 118.405 -0.807 . . . . 71.23 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.93 25.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 114.785 -1.098 . . . . 62.1 111.124 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.68 88.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 72.43 112.459 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 72.31 111.082 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.7 mt -51.78 -33.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.148 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.19 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.24 111.065 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -22.5 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -54.26 32.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.841 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -67.78 -68.03 0.42 Allowed 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 121.747 0.784 . . . . 72.3 110.849 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.861 0 CA-C-N 116.141 -0.481 . . . . 34.33 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.496 -0.242 . . . . 62.12 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -18.93 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 73.33 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.62 -31.79 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.895 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 -18.1 58.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 74.14 112.464 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -90.62 -36.81 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 73.43 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -32.42 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.52 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.14 72.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.42 111.134 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -28.9 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.98 -42.45 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 73.15 111.12 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -23.55 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 63.41 111.08 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.24 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -134.24 65.61 1.57 Allowed 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 118.376 -0.821 . . . . 74.31 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.09 25.9 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 114.852 -1.067 . . . . 75.21 111.098 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.84 -69.1 1.39 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 71.14 112.472 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.08 80.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 72.02 111.134 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.68 -32.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 64.12 111.14 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.1 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.41 111.071 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -22.51 56.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 74.15 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -69.93 -46.47 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.832 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -83.83 -14.51 51.08 Favored 'General case' 0 C--O 1.207 -1.175 0 CA-C-O 121.77 0.795 . . . . 74.11 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.865 0 CA-C-N 116.15 -0.477 . . . . 32.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.253 . . . . 42.2 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -32.11 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 74.12 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -42.37 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.88 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.37 76.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.498 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.15 -23.13 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 72.31 111.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.42 -39.73 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.912 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.6 61.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.081 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -30.55 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.884 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.78 -42.45 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.077 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.51 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 62.14 111.074 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.4 -21.43 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -123.77 62.63 1.06 Allowed 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 118.388 -0.815 . . . . 75.31 110.824 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.44 25.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 75.1 111.076 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.96 -69.09 1.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.533 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.21 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 73.35 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.35 -36.91 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.33 -50.07 49.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 53.14 111.095 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -22.49 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -83.04 -40.28 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.22 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -35.49 69.3 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-O 121.784 0.802 . . . . 74.54 110.853 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.128 -0.487 . . . . 62.1 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.52 -0.232 . . . . 65.42 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -31.59 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.891 0.377 . . . . 71.45 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -36.2 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.853 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -27.02 61.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.63 -29.07 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 74.33 111.167 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -26.28 68.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.54 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.037 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -32.2 26.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 74.15 110.853 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.9 -42.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.181 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.04 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 73.42 111.095 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.38 -27.34 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 62.04 111.043 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -140.37 78.13 1.64 Allowed 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 118.404 -0.808 . . . . 74.11 110.867 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -115.95 25.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.805 -1.089 . . . . 74.54 111.141 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.6 88.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 73.32 112.515 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.74 -70.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 73.25 111.075 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.91 -35.83 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.31 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.39 83.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.06 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -22.5 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.45 110.884 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -88.33 -33.41 17.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.808 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.18 -43.59 70.47 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.79 0.805 . . . . 75.42 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.888 0 CA-C-N 116.18 -0.464 . . . . 65.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 72.41 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -27.38 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 73.55 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -55.25 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.66 41.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 64.14 112.494 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.22 -25.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 74.12 111.142 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -49.54 67.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.34 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.088 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -30.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 73.24 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.93 -42.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.32 111.098 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.49 -25.32 61.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.113 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.89 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.52 111.053 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -133.74 60.04 1.72 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 118.39 -0.814 . . . . 73.14 110.845 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.62 26.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.801 -1.09 . . . . 73.32 111.121 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.74 -69.08 1.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 52.4 112.506 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.81 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 74.02 111.108 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.3 mt -51.66 -32.98 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 74.52 111.096 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.11 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -22.47 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.943 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -28.73 69.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -104.93 -20.31 13.59 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-O 121.773 0.797 . . . . 74.54 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.851 0 CA-C-N 116.195 -0.457 . . . . 52.45 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.442 -0.263 . . . . 71.41 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.76 -30.42 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 71.21 110.933 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.28 49.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.51 -32.95 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 74.13 112.458 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -28.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 75.22 111.136 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -28.6 69.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.18 74.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.55 111.099 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -30.81 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 63.31 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.67 -41.74 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 61.44 111.084 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.64 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 71.33 111.103 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.2 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.076 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -152.84 57.02 0.79 Allowed 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.448 -0.787 . . . . 75.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -128.85 6.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.828 -1.078 . . . . 74.35 111.143 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.68 -65.79 3.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 74.13 112.484 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.09 82.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 72.01 111.142 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.84 -37.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.142 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.53 83.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.42 111.097 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -22.52 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.877 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -90.51 -48.71 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 62.31 110.865 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.69 -70.4 0.13 Allowed 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.772 0.796 . . . . 75.12 110.89 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.852 0 CA-C-N 116.153 -0.476 . . . . 52.33 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.49 -0.244 . . . . 62.33 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -37.17 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 62.55 110.949 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -42.71 70.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.908 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.86 96.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 45.31 112.499 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.67 -23.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.24 111.144 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -91.59 -39.82 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 63.24 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.89 -24.86 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 64.25 111.133 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.41 -27.0 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.03 -42.06 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 65.34 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.94 -25.31 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.1 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -125.26 83.46 2.17 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 118.376 -0.821 . . . . 61.45 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.76 6.95 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.809 -1.087 . . . . 74.22 111.105 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.37 -41.99 63.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 74.21 112.449 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.31 -62.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 75.42 111.154 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.76 -36.33 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.161 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.54 -46.09 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.44 111.106 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -22.55 56.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.905 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -54.58 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 64.12 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -61.45 -18.84 60.77 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 121.756 0.788 . . . . 71.32 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.866 0 CA-C-N 116.152 -0.476 . . . . 63.54 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.515 -0.234 . . . . 72.31 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -31.51 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.364 . . . . 73.13 110.944 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.11 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -19.37 59.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 73.45 112.527 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.41 -23.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 74.13 111.131 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.6 -39.76 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.89 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 70.34 111.136 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -39.56 77.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.865 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.3 -41.85 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.14 -24.91 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.13 111.049 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.16 -23.72 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 65.31 111.108 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -129.52 72.49 1.48 Allowed 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 118.409 -0.805 . . . . 73.2 110.838 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 p -109.93 7.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 114.783 -1.098 . . . . 71.12 111.095 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.13 -34.66 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 63.4 112.502 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -60.89 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 72.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.4 mt -58.73 -42.51 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 74.44 111.135 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.67 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 71.12 111.086 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -22.57 56.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.02 110.819 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -89.64 -26.79 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.883 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -22.96 47.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 121.77 0.795 . . . . 64.43 110.909 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.869 0 CA-C-N 116.175 -0.466 . . . . 61.34 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.486 -0.246 . . . . 60.21 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -19.75 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 75.21 110.896 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.2 -26.92 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.889 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -17.72 46.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 74.14 112.483 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.99 -23.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 74.42 111.143 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.6 -39.67 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.29 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 42.44 111.117 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -37.31 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.66 -42.55 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.14 111.161 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.1 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.125 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.38 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.1 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -120.94 79.95 1.57 Allowed 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.4 -0.81 . . . . 73.11 110.841 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.17 25.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.847 -1.069 . . . . 74.13 111.133 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.85 -57.65 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 74.53 112.453 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.15 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.14 111.08 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mm -51.43 -44.27 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 74.44 111.101 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.13 -54.91 40.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.092 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.62 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -77.64 -32.15 53.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.12 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -88.06 -22.43 24.18 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 121.798 0.808 . . . . 73.35 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.123 -0.49 . . . . 71.12 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.495 -0.242 . . . . 74.5 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.88 -28.25 69.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 73.2 110.931 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -33.99 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -26.62 57.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 54.3 112.478 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.62 -31.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 74.03 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -43.51 97.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -26.1 38.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 70.42 111.073 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -26.37 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.882 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.23 -42.49 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.146 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.51 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 73.45 111.134 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.31 4.54 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' HA ' ' HA2' ' A' ' 13' ' ' I4G . 20.1 t60 -116.21 86.57 2.51 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 118.404 -0.807 . . . . 72.21 110.818 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . 0.428 ' HA2' ' HA ' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.45 25.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.806 -1.088 . . . . 73.42 111.062 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.72 -69.06 1.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 62.43 112.499 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.04 80.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 73.45 111.101 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.71 -31.07 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.41 111.104 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -53.15 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.105 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -22.46 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.854 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -78.85 -52.35 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 54.51 110.843 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -67.59 -17.79 64.76 Favored 'General case' 0 C--O 1.207 -1.173 0 CA-C-O 121.795 0.807 . . . . 74.44 110.894 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.142 -0.481 . . . . 20.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.245 . . . . 75.45 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -33.02 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 71.5 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -40.07 65.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.908 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 -24.22 75.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 74.21 112.509 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.35 -33.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 72.24 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -36.72 82.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.905 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.37 -25.78 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.04 111.055 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -42.6 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.92 -42.88 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 70.24 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.23 -25.19 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.31 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.87 -1.56 49.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.45 111.095 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -125.73 69.63 1.18 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 118.371 -0.824 . . . . 74.13 110.839 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.97 26.1 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 75.45 111.112 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.91 -69.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 74.31 112.504 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 74.41 111.135 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.53 -30.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.08 -51.49 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 63.34 111.117 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -21.27 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.33 110.858 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -82.9 -44.24 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.849 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -40.79 0.26 Allowed 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 121.735 0.779 . . . . 72.23 110.856 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.877 0 CA-C-N 116.184 -0.462 . . . . 63.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 74.5 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -45.39 94.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.882 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -23.25 62.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 30.02 112.473 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.42 -29.35 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 62.1 111.106 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -35.87 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.894 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.92 -30.41 58.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.077 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.7 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.58 -42.76 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.065 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.32 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.48 60.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.216 -0.693 0 CA-C-O 118.437 -0.792 . . . . 62.11 110.89 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.843 0.354 . . . . 74.42 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -48.38 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.882 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.98 -20.12 62.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 60.12 112.49 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.67 -28.36 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 63.41 111.082 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -32.36 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 -27.24 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 35.42 111.081 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -26.01 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.33 110.919 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.81 -42.02 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.55 111.094 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.58 -38.17 55.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.128 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.02 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 33.12 111.113 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.438 -0.791 . . . . 71.32 110.861 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.851 0.358 . . . . 64.33 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -49.33 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.24 -25.85 55.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 70.02 112.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.96 -33.06 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 75.13 111.122 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -37.17 84.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.01 -25.43 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.116 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -27.03 62.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.15 -42.17 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 63.21 111.134 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.97 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.088 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.99 -25.33 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 118.37 -0.824 . . . . 74.13 110.887 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 55.02 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -37.61 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 -22.59 78.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 62.52 112.477 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.81 -47.45 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 73.22 111.073 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -31.78 73.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.02 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.43 75.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.078 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -35.02 70.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 71.01 110.889 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.77 -42.59 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.42 111.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.71 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.51 111.093 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -9.98 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 71.12 111.093 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 118.394 -0.812 . . . . 72.45 110.892 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 72.42 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.58 -26.89 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.877 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -18.7 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 63.45 112.493 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.98 -29.35 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 52.41 111.156 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -35.45 59.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.928 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.63 57.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.45 111.095 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.15 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.96 -42.81 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.41 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.12 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.13 111.09 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.43 111.111 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 118.342 -0.837 . . . . 74.52 110.846 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 74.41 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -46.03 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.878 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.46 87.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 75.32 112.452 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.44 -35.59 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 63.3 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -35.57 70.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 -32.49 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 32.31 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -57.93 -26.2 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.04 110.905 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.72 -43.42 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.32 111.102 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.06 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 8' ' ' LYS . . . -70.61 -17.92 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 60.42 111.136 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--O 1.216 -0.658 0 CA-C-O 118.398 -0.811 . . . . 71.15 110.87 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.803 0.335 . . . . 74.43 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -41.12 63.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.841 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 -32.16 75.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 74.43 112.454 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 71.15 111.163 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.53 -39.74 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 60.4 110.882 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.076 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.87 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.927 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.48 -42.1 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 62.15 111.126 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -26.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 70.24 111.1 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.24 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 65.31 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 118.35 -0.833 . . . . 74.54 110.853 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.826 0.346 . . . . 73.21 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -41.92 77.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -29.55 73.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 53.21 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.08 -41.98 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 74.43 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -57.4 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.1 68.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 43.31 111.106 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.89 -43.65 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.3 111.139 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.16 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.141 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -1.54 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 43.44 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 118.423 -0.799 . . . . 73.33 110.836 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 62.52 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -41.65 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.53 110.9 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.39 -25.5 71.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 64.32 112.494 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.4 -53.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 74.45 111.192 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -28.7 58.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.88 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.33 -25.31 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 65.21 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.897 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.38 -42.05 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 61.11 111.139 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -25.19 58.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 43.23 111.09 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.19 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.075 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 . . . . . 0 C--O 1.216 -0.673 0 CA-C-O 118.404 -0.808 . . . . 74.23 110.883 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.836 0.351 . . . . 74.11 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.8 -26.44 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.899 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 -18.32 45.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 41.21 112.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -84.81 -26.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 61.32 111.128 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -26.03 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.14 110.916 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.15 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 71.1 111.067 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.864 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.25 -42.12 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.03 111.131 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -23.89 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 54.41 111.093 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.98 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.122 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.405 -0.807 . . . . 71.23 110.863 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.877 0.37 . . . . 43.03 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.62 -31.79 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.895 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 -18.1 58.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.464 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -90.62 -36.81 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 50.41 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -32.42 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.52 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.14 72.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 54.42 111.134 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -28.9 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.98 -42.45 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 72.31 111.12 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -23.55 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 50.35 111.08 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.24 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 50.41 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 118.376 -0.821 . . . . 74.31 110.875 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 73.24 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -42.37 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.88 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.37 76.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.498 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.15 -23.13 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 61.54 111.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.42 -39.73 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.912 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.6 61.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.081 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -30.55 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.884 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.78 -42.45 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.52 111.077 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.51 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 62.14 111.074 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.4 -21.43 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 . . . . . 0 C--O 1.215 -0.74 0 CA-C-O 118.388 -0.815 . . . . 61.23 110.824 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 70.41 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -36.2 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.853 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -27.02 61.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 64.52 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.63 -29.07 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 74.33 111.167 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -26.28 68.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.54 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.037 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -32.2 26.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 74.15 110.853 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.9 -42.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.181 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.04 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 73.22 111.095 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.38 -27.34 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 61.35 111.043 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 118.404 -0.808 . . . . 74.11 110.867 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.36 . . . . 72.41 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -55.25 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.66 41.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 64.14 112.494 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.22 -25.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 70.12 111.142 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -49.54 67.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.34 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.088 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -30.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 72.43 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.93 -42.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.32 111.098 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.49 -25.32 61.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.113 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.89 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.45 111.053 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.215 -0.723 0 CA-C-O 118.39 -0.814 . . . . 73.14 110.845 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 50.41 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.28 49.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.51 -32.95 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 53.3 112.458 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -28.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 74.54 111.136 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -28.6 69.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.18 74.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.55 111.099 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -30.81 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 61.42 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.67 -41.74 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 60.44 111.084 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.64 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.11 111.103 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.2 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.1 111.076 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 118.448 -0.787 . . . . 75.43 110.884 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.883 0.373 . . . . 62.55 110.949 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -42.71 70.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.908 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.86 96.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 45.31 112.499 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.67 -23.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.24 111.144 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 tp -91.59 -39.82 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 61.44 110.867 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.89 -24.86 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 60.0 111.133 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.41 -27.0 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.03 -42.06 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 54.11 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.94 -25.31 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.12 111.1 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.376 -0.821 . . . . 44.25 110.888 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.364 . . . . 73.13 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.11 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -19.37 59.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 73.45 112.527 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.41 -23.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 74.13 111.131 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.76 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 24.01 111.136 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -39.56 77.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.865 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.3 -41.85 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.14 -24.91 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 65.24 111.049 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.16 -23.72 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 34.42 111.108 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.3 t60 . . . . . 0 C--O 1.216 -0.697 0 CA-C-O 118.409 -0.805 . . . . 63.05 110.838 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 64.33 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.2 -26.92 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.889 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -17.72 46.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 74.14 112.483 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.99 -23.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 64.12 111.143 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.67 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 70.2 110.885 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.29 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 33.22 111.117 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -37.31 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.66 -42.55 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.13 111.161 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.1 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.125 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.38 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.1 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 118.4 -0.81 . . . . 73.11 110.841 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 73.2 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -33.99 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -26.62 57.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 54.3 112.478 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.62 -31.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 73.33 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -43.51 97.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -26.1 38.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 70.42 111.073 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -26.37 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.882 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.23 -42.49 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.146 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.51 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 65.35 111.134 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.31 4.54 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 118.404 -0.807 . . . . 63.05 110.818 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.839 0.352 . . . . 71.5 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -40.07 65.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.908 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 -24.22 75.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.42 112.509 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.35 -33.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 72.24 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -36.72 82.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.905 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.37 -25.78 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.04 111.055 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -42.6 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.92 -42.88 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 63.42 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.23 -25.19 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 73.31 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.87 -1.56 49.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.45 111.095 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 118.371 -0.824 . . . . 65.24 110.839 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.492 -0.243 . . . . 63.04 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.41 60.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 74.5 110.911 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -45.39 94.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.882 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -23.25 62.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 30.02 112.473 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.42 -29.35 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 62.1 111.106 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -35.87 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.894 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.92 -30.41 58.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.077 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.7 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.58 -42.76 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.065 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.32 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.48 60.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -131.61 76.01 1.68 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 118.437 -0.792 . . . . 62.11 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -117.22 26.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.832 -1.076 . . . . 72.33 111.131 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.24 -69.1 1.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 74.33 112.499 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.88 -46.17 79.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 53.3 111.08 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -51.62 -33.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.32 111.151 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.31 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.22 111.083 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.63 55.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -85.01 -43.8 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.24 110.852 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.68 34.83 2.32 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-O 121.732 0.777 . . . . 74.24 110.868 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.848 0 CA-C-N 116.155 -0.475 . . . . 21.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.484 -0.246 . . . . 40.21 112.484 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.8 -30.87 35.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 74.42 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -48.38 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.882 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.98 -20.12 62.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 60.12 112.49 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 1' ' ' GLY . 21.4 t -84.67 -28.36 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 63.41 111.082 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -32.36 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 -27.24 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 35.42 111.081 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -26.01 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.33 110.919 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.81 -42.02 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.55 111.094 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.58 -38.17 55.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.128 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.02 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 33.12 111.113 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 77.59 1.67 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.438 -0.791 . . . . 71.32 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -131.94 25.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.809 -1.087 . . . . 52.42 111.147 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.56 89.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 45.24 112.486 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.68 -70.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 44.23 111.117 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.74 -34.51 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.15 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.36 68.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 64.5 111.128 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -22.57 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 55.22 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -87.26 -44.31 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.55 -45.23 95.05 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-O 121.775 0.798 . . . . 61.32 110.888 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.841 0 CA-C-N 116.161 -0.472 . . . . 74.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 73.42 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp -73.3 -30.92 63.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.851 0.358 . . . . 64.33 110.916 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -49.33 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.24 -25.85 55.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 70.02 112.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.96 -33.06 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 75.13 111.122 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -37.17 84.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.01 -25.43 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.116 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -27.03 62.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.15 -42.17 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 63.21 111.134 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.97 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.088 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.99 -25.33 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -127.65 57.84 1.51 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 118.37 -0.824 . . . . 74.13 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG13 HG13 ' A' ' 17' ' ' ILE . 3.2 t -113.02 25.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.846 -1.07 . . . . 61.31 111.124 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.87 -58.03 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 32.02 112.47 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.49 -31.92 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 72.23 111.107 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.454 HG13 HG13 ' A' ' 14' ' ' VAL . 45.7 mm -51.39 -37.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.24 111.121 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.42 -47.99 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 33.44 111.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -22.5 55.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 62.3 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -87.05 -36.75 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.842 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.1 41.05 1.8 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 121.812 0.815 . . . . 75.13 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.882 0 CA-C-N 116.13 -0.486 . . . . 32.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.485 -0.246 . . . . 62.4 112.485 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.91 -45.34 74.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 55.02 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -37.61 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 -22.59 78.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 62.52 112.477 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 1' ' ' GLY . 21.4 t -82.81 -47.45 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 73.22 111.073 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -31.78 73.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.02 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.43 75.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.078 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -35.02 70.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 71.01 110.889 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.77 -42.59 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.42 111.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.71 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.51 111.093 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -9.98 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 71.12 111.093 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -140.64 69.29 1.35 Allowed 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 118.394 -0.812 . . . . 72.45 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -101.07 24.78 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.819 -1.082 . . . . 63.34 111.09 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.56 87.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.722 . . . . 73.33 112.503 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 55.14 111.114 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.0 mt -51.77 -34.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.156 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.98 -51.17 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.117 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -22.61 56.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.843 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.54 -35.6 21.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.879 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -53.62 25.59 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 121.757 0.789 . . . . 73.22 110.876 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.862 0 CA-C-N 116.171 -0.468 . . . . 71.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.65 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.242 . . . . 54.53 112.496 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -20.79 58.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.42 110.904 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.58 -26.89 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.877 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -18.7 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 63.45 112.493 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 1' ' ' GLY . 88.4 t -83.98 -29.35 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 52.41 111.156 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -35.45 59.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.928 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.63 57.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.45 111.095 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.15 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.96 -42.81 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.41 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.12 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.13 111.09 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.43 111.111 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -129.39 79.28 1.9 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 118.342 -0.837 . . . . 74.52 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -100.92 24.7 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 114.836 -1.075 . . . . 73.12 111.099 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.61 -47.55 87.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.478 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.69 -71.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 75.41 111.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.69 -35.06 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.11 111.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.32 65.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 52.43 111.092 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.6 -22.51 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 70.52 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -87.72 -38.69 15.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.834 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.1 -14.19 62.79 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 121.769 0.795 . . . . 73.02 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.857 0 CA-C-N 116.143 -0.481 . . . . 51.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.511 -0.236 . . . . 61.1 112.511 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -34.62 76.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 74.41 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -46.03 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.878 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.46 87.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 75.32 112.452 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 1' ' ' GLY . 21.4 t -68.44 -35.59 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 63.3 111.122 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -35.57 70.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 -32.49 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 32.31 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -57.93 -26.2 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.04 110.905 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.72 -43.42 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.32 111.102 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.06 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 8' ' ' LYS . . . -70.61 -17.92 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 60.42 111.136 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -125.6 73.9 1.36 Allowed 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 118.398 -0.811 . . . . 71.15 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 17' ' ' ILE . 3.2 t -105.75 25.06 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.831 -1.077 . . . . 54.12 111.151 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.71 -57.64 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 75.31 112.527 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.15 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 43.34 111.084 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 14' ' ' VAL . 45.7 mm -51.49 -41.76 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 45.12 111.122 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.61 76.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 55.32 111.078 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -22.56 55.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -85.37 -31.49 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.61 -8.07 59.48 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 121.758 0.79 . . . . 65.2 110.851 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.898 0 CA-C-N 116.176 -0.465 . . . . 55.11 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.519 -0.233 . . . . 44.14 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.74 -34.67 78.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 74.43 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -41.12 63.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.841 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 -32.16 75.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 74.43 112.454 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 71.15 111.163 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.53 -39.74 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 60.4 110.882 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.076 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.87 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.927 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.48 -42.1 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 62.15 111.126 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -26.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 70.24 111.1 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.24 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 65.31 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -153.77 63.99 0.73 Allowed 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.35 -0.833 . . . . 74.54 110.853 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -103.04 25.78 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.799 -1.091 . . . . 75.42 111.145 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.6 89.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 72.21 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -70.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.302 . . . . 65.35 111.073 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.5 mt -51.72 -35.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 62.4 111.132 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.81 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 52.52 111.056 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -22.5 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.871 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -90.92 -33.68 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.2 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.56 -28.18 62.67 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-O 121.792 0.806 . . . . 73.5 110.869 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.123 -0.49 . . . . 13.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.484 -0.246 . . . . 70.22 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.51 -37.84 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 73.21 110.908 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -41.92 77.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -29.55 73.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 53.21 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.08 -41.98 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 74.43 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -57.4 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.1 68.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 43.31 111.106 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.89 -43.65 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.3 111.139 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.16 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.141 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -1.54 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 43.44 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -144.54 67.59 1.26 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.423 -0.799 . . . . 73.33 110.836 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -102.5 25.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.838 -1.074 . . . . 74.15 111.086 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.06 -47.61 88.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 60.42 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -71.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.7 0.286 . . . . 52.3 111.073 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.79 -33.6 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 61.32 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.31 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.52 111.123 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.44 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 74.03 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -91.03 -33.23 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.69 43.86 1.86 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 121.817 0.818 . . . . 65.23 110.905 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.12 -0.491 . . . . 71.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.26 . . . . 54.42 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -40.74 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 62.52 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -41.65 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.53 110.9 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.39 -25.5 71.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 64.32 112.494 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.4 -53.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 74.45 111.192 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -28.7 58.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.88 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.33 -25.31 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 65.21 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.897 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.38 -42.05 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 61.11 111.139 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -25.19 58.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 43.23 111.09 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.19 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.075 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -125.28 83.39 2.16 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 118.404 -0.808 . . . . 74.23 110.883 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.2 p -98.98 6.9 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 114.857 -1.065 . . . . 73.34 111.126 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.43 -41.95 64.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 74.04 112.532 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 -61.73 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 60.12 111.104 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.23 -36.58 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.42 111.164 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.71 82.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 74.35 111.087 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -22.57 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 62.51 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -46.57 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 54.44 110.86 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -89.77 10.49 23.3 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 121.74 0.781 . . . . 61.43 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.857 0 CA-C-N 116.176 -0.465 . . . . 0.12 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.647 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.534 -0.226 . . . . 34.44 112.534 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.81 -20.57 57.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.836 0.351 . . . . 74.11 110.915 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.8 -26.44 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.899 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 -18.32 45.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 41.21 112.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 1' ' ' GLY . 88.4 t -84.81 -26.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 61.32 111.128 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -26.03 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.14 110.916 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.15 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 71.1 111.067 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.864 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.25 -42.12 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.03 111.131 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -23.89 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 54.41 111.093 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.98 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.122 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -152.77 57.02 0.8 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 118.405 -0.807 . . . . 71.23 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -141.93 25.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 114.785 -1.098 . . . . 50.12 111.124 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.68 88.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 72.43 112.459 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 51.05 111.082 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.7 mt -51.78 -33.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.148 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.19 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.24 111.065 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -22.5 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -54.26 32.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 63.11 110.841 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -67.78 -68.03 0.42 Allowed 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 121.747 0.784 . . . . 72.3 110.849 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.861 0 CA-C-N 116.141 -0.481 . . . . 34.33 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.559 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.496 -0.242 . . . . 62.12 112.496 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -18.93 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 43.03 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.62 -31.79 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.895 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 -18.1 58.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.464 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 1' ' ' GLY . 89.7 t -90.62 -36.81 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 50.41 111.136 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -32.42 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.52 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.14 72.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 54.42 111.134 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -28.9 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.98 -42.45 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 72.31 111.12 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -23.55 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 50.35 111.08 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.24 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 50.41 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -134.24 65.61 1.57 Allowed 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 118.376 -0.821 . . . . 74.31 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -107.09 25.9 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 114.852 -1.067 . . . . 65.45 111.098 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.84 -69.1 1.39 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 71.14 112.472 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.08 80.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 70.52 111.134 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.68 -32.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 62.3 111.14 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.1 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 64.53 111.071 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -22.51 56.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 65.4 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -69.93 -46.47 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.832 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -83.83 -14.51 51.08 Favored 'General case' 0 C--O 1.207 -1.175 0 CA-C-O 121.77 0.795 . . . . 54.21 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.865 0 CA-C-N 116.15 -0.477 . . . . 23.32 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.253 . . . . 15.24 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -32.11 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 73.24 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -42.37 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.88 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.37 76.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.498 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.15 -23.13 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 61.54 111.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.42 -39.73 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.912 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.6 61.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.081 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -30.55 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.884 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.78 -42.45 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.52 111.077 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.51 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 62.14 111.074 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.4 -21.43 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -123.77 62.63 1.06 Allowed 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 118.388 -0.815 . . . . 61.23 110.824 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -113.44 25.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 74.44 111.076 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.96 -69.09 1.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.533 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.21 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 53.51 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.35 -36.91 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.33 -50.07 49.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 53.14 111.095 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -22.49 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -83.04 -40.28 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.22 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -35.49 69.3 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-O 121.784 0.802 . . . . 74.41 110.853 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.128 -0.487 . . . . 62.1 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.52 -0.232 . . . . 65.42 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -31.59 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.891 0.377 . . . . 70.41 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -36.2 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.853 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -27.02 61.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 64.52 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.63 -29.07 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 74.33 111.167 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -26.28 68.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.54 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.037 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -32.2 26.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 74.15 110.853 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.9 -42.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.181 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.04 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 73.22 111.095 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.38 -27.34 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 61.35 111.043 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 11.9 t-160 -140.37 78.13 1.64 Allowed 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 118.404 -0.808 . . . . 74.11 110.867 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -115.95 25.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.805 -1.089 . . . . 74.54 111.141 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.6 88.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 73.32 112.515 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . . . -51.74 -70.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 73.25 111.075 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.91 -35.83 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 61.32 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.39 83.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.06 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -22.5 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.45 110.884 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -88.33 -33.41 17.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 64.13 110.808 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.18 -43.59 70.47 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.79 0.805 . . . . 73.41 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.888 0 CA-C-N 116.18 -0.464 . . . . 41.24 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 34.41 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -27.38 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 72.41 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -55.25 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.66 41.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 64.14 112.494 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.22 -25.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 70.12 111.142 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -49.54 67.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.34 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.088 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -30.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 72.43 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.93 -42.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.32 111.098 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.49 -25.32 61.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.113 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.89 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.45 111.053 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -133.74 60.04 1.72 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 118.39 -0.814 . . . . 73.14 110.845 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -121.62 26.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.801 -1.09 . . . . 73.32 111.121 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.74 -69.08 1.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 52.4 112.506 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.81 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 64.42 111.108 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.3 mt -51.66 -32.98 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 62.52 111.096 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.11 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 34.33 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -22.47 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.943 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -28.73 69.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.845 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -104.93 -20.31 13.59 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-O 121.773 0.797 . . . . 74.54 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.851 0 CA-C-N 116.195 -0.457 . . . . 52.45 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.442 -0.263 . . . . 71.41 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.76 -30.42 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 50.41 110.933 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.28 49.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.51 -32.95 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 53.3 112.458 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -28.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 74.54 111.136 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -28.6 69.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.18 74.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.55 111.099 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -30.81 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 61.42 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.67 -41.74 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 60.44 111.084 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.64 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.11 111.103 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.2 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.1 111.076 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -152.84 57.02 0.79 Allowed 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.448 -0.787 . . . . 75.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.3 p -128.85 6.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.828 -1.078 . . . . 54.22 111.143 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.68 -65.79 3.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 74.13 112.484 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.09 82.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 43.2 111.142 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.84 -37.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.142 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.53 83.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.42 111.097 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -22.52 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 52.11 110.877 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -90.51 -48.71 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.865 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.69 -70.4 0.13 Allowed 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.772 0.796 . . . . 75.12 110.89 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.852 0 CA-C-N 116.153 -0.476 . . . . 14.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.49 -0.244 . . . . 62.33 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -37.17 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 62.55 110.949 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -42.71 70.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.908 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.86 96.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 45.31 112.499 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.67 -23.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.24 111.144 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 tp -91.59 -39.82 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 61.44 110.867 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.89 -24.86 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 60.0 111.133 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.41 -27.0 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.03 -42.06 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 54.11 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.94 -25.31 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.12 111.1 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -125.26 83.46 2.17 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 118.376 -0.821 . . . . 44.25 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.2 p -108.76 6.95 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.809 -1.087 . . . . 74.22 111.105 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.37 -41.99 63.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 74.21 112.449 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.31 -62.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 44.53 111.154 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.76 -36.33 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.161 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.54 -46.09 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.44 111.106 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -22.55 56.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 43.22 110.905 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -54.58 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 40.23 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -61.45 -18.84 60.77 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 121.756 0.788 . . . . 60.02 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.866 0 CA-C-N 116.152 -0.476 . . . . 63.54 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.515 -0.234 . . . . 44.22 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -31.51 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.364 . . . . 73.13 110.944 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.11 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -19.37 59.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 73.45 112.527 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.41 -23.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 74.13 111.131 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.76 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 24.01 111.136 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -39.56 77.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.865 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.3 -41.85 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.14 -24.91 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 65.24 111.049 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.16 -23.72 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 34.42 111.108 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -129.52 72.49 1.48 Allowed 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 118.409 -0.805 . . . . 63.05 110.838 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.0 p -109.93 7.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 114.783 -1.098 . . . . 53.13 111.095 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.13 -34.66 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 21.52 112.502 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -60.89 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 65.41 111.101 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.4 mt -58.73 -42.51 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 62.11 111.135 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.67 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 55.25 111.086 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -22.57 56.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.02 110.819 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -89.64 -26.79 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.883 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -22.96 47.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 121.77 0.795 . . . . 62.42 110.909 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.869 0 CA-C-N 116.175 -0.466 . . . . 61.34 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.63 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.486 -0.246 . . . . 60.21 112.486 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -19.75 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 64.33 110.896 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.2 -26.92 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.889 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -17.72 46.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 74.14 112.483 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 1' ' ' GLY . 89.3 t -86.99 -23.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 64.12 111.143 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.67 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 70.2 110.885 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.29 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 33.22 111.117 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -37.31 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.66 -42.55 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.13 111.161 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.1 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.125 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.38 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.1 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 2.3 t-80 -120.94 79.95 1.57 Allowed 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.4 -0.81 . . . . 73.11 110.841 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG13 HG13 ' A' ' 17' ' ' ILE . 3.3 t -142.17 25.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.847 -1.069 . . . . 74.13 111.133 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.85 -57.65 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 73.21 112.453 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . . . -51.54 -32.15 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 65.44 111.08 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.453 HG13 HG13 ' A' ' 14' ' ' VAL . 45.7 mm -51.43 -44.27 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 70.25 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.13 -54.91 40.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 71.4 111.092 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.62 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -77.64 -32.15 53.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.12 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -88.06 -22.43 24.18 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 121.798 0.808 . . . . 73.35 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.123 -0.49 . . . . 62.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.495 -0.242 . . . . 74.5 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.88 -28.25 69.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 73.2 110.931 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -33.99 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -26.62 57.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 54.3 112.478 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.62 -31.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 73.33 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -43.51 97.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -26.1 38.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 70.42 111.073 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -26.37 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.882 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.23 -42.49 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.146 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.51 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 65.35 111.134 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.31 4.54 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -116.21 86.57 2.51 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 118.404 -0.807 . . . . 63.05 110.818 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.7 t -144.45 25.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.806 -1.088 . . . . 71.51 111.062 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.72 -69.06 1.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 24.53 112.499 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.04 80.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 71.44 111.101 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.71 -31.07 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.41 111.104 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -53.15 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 32.31 111.105 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -22.46 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.854 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -78.85 -52.35 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 54.51 110.843 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -67.59 -17.79 64.76 Favored 'General case' 0 C--O 1.207 -1.173 0 CA-C-O 121.795 0.807 . . . . 74.44 110.894 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.142 -0.481 . . . . 3.35 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.245 . . . . 75.45 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -33.02 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 71.5 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -40.07 65.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.908 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 -24.22 75.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.42 112.509 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.35 -33.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 72.24 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -36.72 82.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.905 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.37 -25.78 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.04 111.055 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -42.6 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.92 -42.88 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 63.42 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' ILE . . . -63.23 -25.19 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 73.31 111.121 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.87 -1.56 49.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.45 111.095 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -125.73 69.63 1.18 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 118.371 -0.824 . . . . 65.24 110.839 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -114.97 26.1 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 72.41 111.112 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.91 -69.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 74.31 112.504 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB1' ' NE2' ' A' ' 20' ' ' HIS . . . -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 74.41 111.135 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 10' ' ' ALA . 62.5 mt -51.53 -30.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 72.3 111.14 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.08 -51.49 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 31.25 111.117 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -21.27 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 71.12 110.858 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' NE2' ' HB1' ' A' ' 16' ' ' ALA . 6.1 m-70 -82.9 -44.24 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.849 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -40.79 0.26 Allowed 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 121.735 0.779 . . . . 72.23 110.856 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.877 0 CA-C-N 116.184 -0.462 . . . . 52.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 74.5 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -45.39 94.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.109999999999999 110.882 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -23.25 62.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 30.02 112.473 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.42 -29.35 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 62.100000000000001 111.106 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -35.87 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.239999999999995 110.894 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.92 -30.41 58.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.077 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.7 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.58 -42.76 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.549999999999997 111.065 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.319999999999993 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.48 60.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.329999999999998 111.098 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.216 -0.693 0 CA-C-O 118.437 -0.792 . . . . 62.109999999999999 110.89 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.843 0.354 . . . . 74.420000000000002 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -48.38 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.882 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.98 -20.12 62.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 60.119999999999997 112.49 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.67 -28.36 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 63.409999999999997 111.082 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -32.36 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 74.040000000000006 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 -27.24 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 35.420000000000002 111.081 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -26.01 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.329999999999998 110.919 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.81 -42.02 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 111.094 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.58 -38.17 55.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.239999999999995 111.128 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.02 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 33.119999999999997 111.113 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.438 -0.791 . . . . 71.319999999999993 110.861 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.851 0.358 . . . . 64.329999999999998 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -49.33 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.230000000000004 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.24 -25.85 55.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 70.019999999999996 112.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.96 -33.06 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 75.129999999999995 111.122 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -37.17 84.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.01 -25.43 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.549999999999997 111.116 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -27.03 62.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.239999999999995 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.15 -42.17 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 63.210000000000001 111.134 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.97 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.088 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.99 -25.33 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.400000000000006 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 118.37 -0.824 . . . . 74.129999999999995 110.887 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 55.020000000000003 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -37.61 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.040000000000006 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 -22.59 78.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 62.520000000000003 112.477 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.81 -47.45 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 73.219999999999999 111.073 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -31.78 73.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.019999999999996 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.43 75.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.349999999999994 111.078 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -35.02 70.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 71.010000000000005 110.889 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.77 -42.59 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.420000000000002 111.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.71 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.510000000000005 111.093 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -9.98 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 71.120000000000005 111.093 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 . . . . . 0 C--O 1.215 -0.726 0 CA-C-O 118.394 -0.812 . . . . 72.450000000000003 110.892 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 72.420000000000002 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.58 -26.89 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.877 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -18.7 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 63.450000000000003 112.493 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.98 -29.35 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 52.409999999999997 111.156 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -35.45 59.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.439999999999998 110.928 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.63 57.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.450000000000003 111.095 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.150000000000006 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.96 -42.81 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.409999999999997 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.12 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.129999999999995 111.09 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.430000000000007 111.111 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 118.342 -0.837 . . . . 74.519999999999996 110.846 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 74.409999999999997 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -46.03 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.400000000000006 110.878 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.46 87.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 75.319999999999993 112.452 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.44 -35.59 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 63.299999999999997 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -35.57 70.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 -32.49 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 32.310000000000002 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -57.93 -26.2 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.040000000000006 110.905 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.72 -43.42 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.32 111.102 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.150000000000006 111.06 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 8' ' ' LYS . . . -70.61 -17.92 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 60.420000000000002 111.136 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--O 1.216 -0.658 0 CA-C-O 118.398 -0.811 . . . . 71.150000000000006 110.87 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.803 0.335 . . . . 74.430000000000007 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -41.12 63.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.841 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 -32.16 75.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 74.430000000000007 112.454 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 71.150000000000006 111.163 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.53 -39.74 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 60.399999999999999 110.882 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 111.076 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.87 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.927 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.48 -42.1 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 62.149999999999999 111.126 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -26.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 70.239999999999995 111.1 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.24 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 65.310000000000002 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 118.35 -0.833 . . . . 74.540000000000006 110.853 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.826 0.346 . . . . 73.209999999999994 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -41.92 77.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -29.55 73.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 53.210000000000001 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.08 -41.98 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 74.430000000000007 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -57.4 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.1 68.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 43.310000000000002 111.106 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.89 -43.65 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 111.139 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.16 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 111.141 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -1.54 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 43.439999999999998 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 118.423 -0.799 . . . . 73.329999999999998 110.836 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 62.520000000000003 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -41.65 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 110.9 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.39 -25.5 71.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 64.319999999999993 112.494 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.4 -53.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 74.450000000000003 111.192 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -28.7 58.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.88 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.33 -25.31 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 65.209999999999994 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.897 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.38 -42.05 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 61.109999999999999 111.139 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -25.19 58.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 43.229999999999997 111.09 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.19 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.129999999999995 111.075 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 . . . . . 0 C--O 1.216 -0.673 0 CA-C-O 118.404 -0.808 . . . . 74.230000000000004 110.883 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.836 0.351 . . . . 74.109999999999999 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.8 -26.44 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.430000000000007 110.899 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 -18.32 45.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 41.210000000000001 112.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -84.81 -26.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 61.32 111.128 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -26.03 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.140000000000001 110.916 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.15 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 71.099999999999994 111.067 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 110.864 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.25 -42.12 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.030000000000001 111.131 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -23.89 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 54.409999999999997 111.093 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.98 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.209999999999994 111.122 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.405 -0.807 . . . . 71.230000000000004 110.863 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.877 0.37 . . . . 43.030000000000001 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.62 -31.79 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.895 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 -18.1 58.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.319999999999993 112.464 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -90.62 -36.81 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 50.409999999999997 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -32.42 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.519999999999996 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.14 72.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 54.420000000000002 111.134 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -28.9 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.98 -42.45 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 111.12 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -23.55 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 50.350000000000001 111.08 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.24 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 50.409999999999997 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 118.376 -0.821 . . . . 74.310000000000002 110.875 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 73.239999999999995 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -42.37 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.88 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.37 76.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 73.400000000000006 112.498 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.15 -23.13 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 61.539999999999999 111.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.42 -39.73 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 110.912 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.6 61.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.081 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -30.55 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 71.230000000000004 110.884 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.78 -42.45 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.519999999999996 111.077 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.51 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 62.140000000000001 111.074 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.4 -21.43 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 . . . . . 0 C--O 1.215 -0.74 0 CA-C-O 118.388 -0.815 . . . . 61.229999999999997 110.824 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 70.409999999999997 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -36.2 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.853 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -27.02 61.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 64.519999999999996 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.63 -29.07 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 74.329999999999998 111.167 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -26.28 68.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 73.310000000000002 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.54 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.420000000000002 111.037 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -32.2 26.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 74.150000000000006 110.853 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.9 -42.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 73.239999999999995 111.181 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.04 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 73.219999999999999 111.095 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.38 -27.34 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 61.350000000000001 111.043 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 118.404 -0.808 . . . . 74.109999999999999 110.867 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.36 . . . . 72.409999999999997 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -55.25 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.66 41.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 64.140000000000001 112.494 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.22 -25.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 70.120000000000005 111.142 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -49.54 67.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 63.310000000000002 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.34 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.088 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -30.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 72.430000000000007 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.93 -42.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.319999999999993 111.098 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.49 -25.32 61.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 111.113 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.89 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 111.053 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.215 -0.723 0 CA-C-O 118.39 -0.814 . . . . 73.140000000000001 110.845 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 50.409999999999997 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.28 49.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.51 -32.95 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 53.299999999999997 112.458 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -28.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 74.540000000000006 111.136 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -28.6 69.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 110.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.18 74.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.549999999999997 111.099 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -30.81 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 61.420000000000002 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.67 -41.74 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 60.439999999999998 111.084 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.64 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.109999999999999 111.103 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.2 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.099999999999994 111.076 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 118.448 -0.787 . . . . 75.430000000000007 110.884 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.883 0.373 . . . . 62.549999999999997 110.949 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -42.71 70.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.430000000000007 110.908 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.86 96.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 45.310000000000002 112.499 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.67 -23.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.239999999999995 111.144 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.2 tp -91.59 -39.82 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 61.439999999999998 110.867 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.89 -24.86 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 60.0 111.133 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.41 -27.0 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.03 -42.06 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 54.109999999999999 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.94 -25.31 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 111.1 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.376 -0.821 . . . . 44.25 110.888 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.364 . . . . 73.129999999999995 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.11 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.879 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -19.37 59.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 73.450000000000003 112.527 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.41 -23.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 74.129999999999995 111.131 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.76 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 24.010000000000002 111.136 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -39.56 77.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.865 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.3 -41.85 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.14 -24.91 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 65.239999999999995 111.049 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.16 -23.72 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 34.420000000000002 111.108 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.3 t60 . . . . . 0 C--O 1.216 -0.697 0 CA-C-O 118.409 -0.805 . . . . 63.049999999999997 110.838 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 64.329999999999998 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.2 -26.92 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 70.540000000000006 110.889 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -17.72 46.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 74.140000000000001 112.483 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.99 -23.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 64.120000000000005 111.143 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.67 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 110.885 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.29 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 33.219999999999999 111.117 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -37.31 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.66 -42.55 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 111.161 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.1 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.430000000000007 111.125 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.38 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.099999999999994 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 118.4 -0.81 . . . . 73.109999999999999 110.841 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 73.200000000000003 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -33.99 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -26.62 57.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 54.299999999999997 112.478 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.62 -31.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 73.329999999999998 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -43.51 97.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.400000000000006 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -26.1 38.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 70.420000000000002 111.073 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -26.37 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.010000000000005 110.882 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.23 -42.49 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.146 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.51 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 65.349999999999994 111.134 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.31 4.54 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 74.129999999999995 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 118.404 -0.807 . . . . 63.049999999999997 110.818 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.839 0.352 . . . . 71.5 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -40.07 65.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.409999999999997 110.908 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 -24.22 75.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.420000000000002 112.509 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.35 -33.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 72.239999999999995 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -36.72 82.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 70.319999999999993 110.905 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.37 -25.78 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.040000000000006 111.055 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -42.6 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.439999999999998 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.92 -42.88 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 63.420000000000002 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.23 -25.19 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 73.310000000000002 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.87 -1.56 49.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.450000000000003 111.095 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 118.371 -0.824 . . . . 65.239999999999995 110.839 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.492 -0.243 . . . . 63.039999999999999 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.41 60.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 74.5 110.911 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -45.39 94.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.109999999999999 110.882 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -23.25 62.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 30.02 112.473 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.42 -29.35 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 62.100000000000001 111.106 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -35.87 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.239999999999995 110.894 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.92 -30.41 58.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.077 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.7 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.58 -42.76 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.549999999999997 111.065 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.319999999999993 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.48 60.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.329999999999998 111.098 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -131.61 76.01 1.68 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 118.437 -0.792 . . . . 62.109999999999999 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -117.22 26.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.832 -1.076 . . . . 72.329999999999998 111.131 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.24 -69.1 1.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 74.329999999999998 112.499 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.88 -46.17 79.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 53.299999999999997 111.08 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -51.62 -33.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.32 111.151 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.31 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.219999999999999 111.083 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.63 55.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -85.01 -43.8 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.240000000000002 110.852 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.68 34.83 2.32 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-O 121.732 0.777 . . . . 74.239999999999995 110.868 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.848 0 CA-C-N 116.155 -0.475 . . . . 21.129999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.484 -0.246 . . . . 40.210000000000001 112.484 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.8 -30.87 35.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 74.420000000000002 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -48.38 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.882 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.98 -20.12 62.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 60.119999999999997 112.49 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 1' ' ' GLY . 21.4 t -84.67 -28.36 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 63.409999999999997 111.082 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -32.36 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 74.040000000000006 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 -27.24 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 35.420000000000002 111.081 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -26.01 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.329999999999998 110.919 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.81 -42.02 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 111.094 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.58 -38.17 55.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.239999999999995 111.128 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.02 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 33.119999999999997 111.113 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -125.78 77.59 1.67 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.438 -0.791 . . . . 71.319999999999993 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -131.94 25.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.809 -1.087 . . . . 52.420000000000002 111.147 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.56 89.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 45.240000000000002 112.486 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.68 -70.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 44.229999999999997 111.117 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.74 -34.51 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 111.15 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.36 68.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 64.5 111.128 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -22.57 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -87.26 -44.31 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.329999999999998 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.55 -45.23 95.05 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-O 121.775 0.798 . . . . 61.32 110.888 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.841 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 73.420000000000002 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp -73.3 -30.92 63.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.851 0.358 . . . . 64.329999999999998 110.916 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -49.33 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.230000000000004 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.24 -25.85 55.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 70.019999999999996 112.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.96 -33.06 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 75.129999999999995 111.122 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -37.17 84.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.01 -25.43 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.549999999999997 111.116 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -27.03 62.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.239999999999995 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.15 -42.17 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 63.210000000000001 111.134 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.97 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.088 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.99 -25.33 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.400000000000006 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -127.65 57.84 1.51 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 118.37 -0.824 . . . . 74.129999999999995 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG13 HG13 ' A' ' 17' ' ' ILE . 3.2 t -113.02 25.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.846 -1.07 . . . . 61.310000000000002 111.124 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.87 -58.03 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 32.020000000000003 112.47 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.49 -31.92 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 72.230000000000004 111.107 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.454 HG13 HG13 ' A' ' 14' ' ' VAL . 45.7 mm -51.39 -37.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.121 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.42 -47.99 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 33.439999999999998 111.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -22.5 55.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 62.299999999999997 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -87.05 -36.75 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.099999999999994 110.842 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.1 41.05 1.8 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 121.812 0.815 . . . . 75.129999999999995 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.882 0 CA-C-N 116.13 -0.486 . . . . 32.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.485 -0.246 . . . . 62.399999999999999 112.485 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.91 -45.34 74.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 55.020000000000003 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -37.61 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.040000000000006 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 -22.59 78.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 62.520000000000003 112.477 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 1' ' ' GLY . 21.4 t -82.81 -47.45 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 73.219999999999999 111.073 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -31.78 73.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.019999999999996 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.43 75.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.349999999999994 111.078 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -35.02 70.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 71.010000000000005 110.889 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.77 -42.59 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.420000000000002 111.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.71 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.510000000000005 111.093 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -9.98 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 71.120000000000005 111.093 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -140.64 69.29 1.35 Allowed 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 118.394 -0.812 . . . . 72.450000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -101.07 24.78 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.819 -1.082 . . . . 63.340000000000003 111.09 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.56 87.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.722 . . . . 73.329999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 55.140000000000001 111.114 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.0 mt -51.77 -34.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.349999999999994 111.156 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.98 -51.17 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 111.117 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -22.61 56.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.843 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.54 -35.6 21.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 64.430000000000007 110.879 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -53.62 25.59 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 121.757 0.789 . . . . 73.219999999999999 110.876 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.862 0 CA-C-N 116.171 -0.468 . . . . 71.019999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.65 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.242 . . . . 54.530000000000001 112.496 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -20.79 58.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.420000000000002 110.904 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.58 -26.89 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.877 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -18.7 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 63.450000000000003 112.493 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 1' ' ' GLY . 88.4 t -83.98 -29.35 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 52.409999999999997 111.156 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -35.45 59.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.439999999999998 110.928 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.63 57.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.450000000000003 111.095 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.150000000000006 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.96 -42.81 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 73.409999999999997 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.12 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.129999999999995 111.09 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.430000000000007 111.111 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -129.39 79.28 1.9 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 118.342 -0.837 . . . . 74.519999999999996 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -100.92 24.7 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 114.836 -1.075 . . . . 73.120000000000005 111.099 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.61 -47.55 87.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 53.439999999999998 112.478 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.69 -71.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 75.409999999999997 111.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.69 -35.06 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 111.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.32 65.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 52.43 111.092 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.6 -22.51 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 70.519999999999996 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -87.72 -38.69 15.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.834 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.1 -14.19 62.79 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 121.769 0.795 . . . . 73.019999999999996 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.857 0 CA-C-N 116.143 -0.481 . . . . 51.530000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.511 -0.236 . . . . 61.100000000000001 112.511 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -34.62 76.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 74.409999999999997 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -46.03 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.400000000000006 110.878 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.46 87.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 75.319999999999993 112.452 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 1' ' ' GLY . 21.4 t -68.44 -35.59 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 63.299999999999997 111.122 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -35.57 70.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 -32.49 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 32.310000000000002 111.097 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -57.93 -26.2 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.040000000000006 110.905 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.72 -43.42 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.32 111.102 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.150000000000006 111.06 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 8' ' ' LYS . . . -70.61 -17.92 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 60.420000000000002 111.136 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -125.6 73.9 1.36 Allowed 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 118.398 -0.811 . . . . 71.150000000000006 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 17' ' ' ILE . 3.2 t -105.75 25.06 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.831 -1.077 . . . . 54.119999999999997 111.151 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.71 -57.64 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 75.310000000000002 112.527 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.15 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 43.340000000000003 111.084 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 14' ' ' VAL . 45.7 mm -51.49 -41.76 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 45.119999999999997 111.122 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.61 76.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 55.32 111.078 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -22.56 55.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -85.37 -31.49 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.61 -8.07 59.48 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 121.758 0.79 . . . . 65.200000000000003 110.851 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.898 0 CA-C-N 116.176 -0.465 . . . . 55.109999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.519 -0.233 . . . . 44.140000000000001 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.74 -34.67 78.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 74.430000000000007 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -41.12 63.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.841 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 -32.16 75.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 74.430000000000007 112.454 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 71.150000000000006 111.163 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.53 -39.74 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 60.399999999999999 110.882 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 111.076 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.87 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.927 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.48 -42.1 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 62.149999999999999 111.126 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -26.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 70.239999999999995 111.1 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.24 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 65.310000000000002 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -153.77 63.99 0.73 Allowed 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.35 -0.833 . . . . 74.540000000000006 110.853 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -103.04 25.78 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.799 -1.091 . . . . 75.420000000000002 111.145 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.6 89.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 72.209999999999994 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -70.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.302 . . . . 65.349999999999994 111.073 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.5 mt -51.72 -35.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 62.399999999999999 111.132 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.81 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 52.520000000000003 111.056 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -22.5 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 73.099999999999994 110.871 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -90.92 -33.68 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.200000000000003 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.56 -28.18 62.67 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-O 121.792 0.806 . . . . 73.5 110.869 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.123 -0.49 . . . . 13.130000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.484 -0.246 . . . . 70.219999999999999 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.51 -37.84 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 73.209999999999994 110.908 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -41.92 77.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -29.55 73.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 53.210000000000001 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.08 -41.98 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 74.430000000000007 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -57.4 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.1 68.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 43.310000000000002 111.106 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.89 -43.65 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 111.139 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.16 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 111.141 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -1.54 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 43.439999999999998 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -144.54 67.59 1.26 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.423 -0.799 . . . . 73.329999999999998 110.836 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.3 t -102.5 25.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.838 -1.074 . . . . 74.150000000000006 111.086 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.06 -47.61 88.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 60.420000000000002 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -71.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.7 0.286 . . . . 52.299999999999997 111.073 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.79 -33.6 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 61.32 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.31 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 111.123 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.44 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 74.030000000000001 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -91.03 -33.23 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.530000000000001 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.69 43.86 1.86 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 121.817 0.818 . . . . 65.230000000000004 110.905 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.12 -0.491 . . . . 71.319999999999993 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.26 . . . . 54.420000000000002 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -40.74 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 62.520000000000003 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -41.65 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 110.9 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.39 -25.5 71.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 64.319999999999993 112.494 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.4 -53.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 74.450000000000003 111.192 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -28.7 58.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.88 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.33 -25.31 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 65.209999999999994 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.897 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.38 -42.05 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 61.109999999999999 111.139 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -25.19 58.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 43.229999999999997 111.09 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.19 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.129999999999995 111.075 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -125.28 83.39 2.16 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 118.404 -0.808 . . . . 74.230000000000004 110.883 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.2 p -98.98 6.9 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 114.857 -1.065 . . . . 73.340000000000003 111.126 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.43 -41.95 64.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 74.040000000000006 112.532 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 -61.73 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 60.119999999999997 111.104 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.23 -36.58 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.420000000000002 111.164 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.71 82.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 111.087 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -22.57 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 62.509999999999998 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -46.57 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 54.439999999999998 110.86 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -89.77 10.49 23.3 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 121.74 0.781 . . . . 61.43 110.836 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.857 0 CA-C-N 116.176 -0.465 . . . . 0.12 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.647 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.534 -0.226 . . . . 34.439999999999998 112.534 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.81 -20.57 57.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.836 0.351 . . . . 74.109999999999999 110.915 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.8 -26.44 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.430000000000007 110.899 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 -18.32 45.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 41.210000000000001 112.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 1' ' ' GLY . 88.4 t -84.81 -26.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 61.32 111.128 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -26.03 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.140000000000001 110.916 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.15 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 71.099999999999994 111.067 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 110.864 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.25 -42.12 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.030000000000001 111.131 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -23.89 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 54.409999999999997 111.093 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.98 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.209999999999994 111.122 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -152.77 57.02 0.8 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 118.405 -0.807 . . . . 71.230000000000004 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -141.93 25.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 114.785 -1.098 . . . . 50.119999999999997 111.124 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.68 88.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 72.430000000000007 112.459 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -71.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 51.049999999999997 111.082 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.7 mt -51.78 -33.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.148 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.19 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.240000000000002 111.065 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -22.5 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -54.26 32.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 63.109999999999999 110.841 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -67.78 -68.03 0.42 Allowed 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 121.747 0.784 . . . . 72.299999999999997 110.849 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.861 0 CA-C-N 116.141 -0.481 . . . . 34.329999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.559 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.496 -0.242 . . . . 62.119999999999997 112.496 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -18.93 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 43.030000000000001 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.62 -31.79 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.895 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 -18.1 58.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.319999999999993 112.464 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 1' ' ' GLY . 89.7 t -90.62 -36.81 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 50.409999999999997 111.136 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -32.42 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.519999999999996 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.14 72.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 54.420000000000002 111.134 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -28.9 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.98 -42.45 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 111.12 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -23.55 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 50.350000000000001 111.08 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.03 -1.24 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 50.409999999999997 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -134.24 65.61 1.57 Allowed 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 118.376 -0.821 . . . . 74.310000000000002 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -107.09 25.9 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 114.852 -1.067 . . . . 65.450000000000003 111.098 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.84 -69.1 1.39 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 71.140000000000001 112.472 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.08 80.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 70.519999999999996 111.134 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.4 mt -51.68 -32.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 62.299999999999997 111.14 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.1 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 64.530000000000001 111.071 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -22.51 56.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -69.93 -46.47 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 70.030000000000001 110.832 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -83.83 -14.51 51.08 Favored 'General case' 0 C--O 1.207 -1.175 0 CA-C-O 121.77 0.795 . . . . 54.210000000000001 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.865 0 CA-C-N 116.15 -0.477 . . . . 23.32 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.253 . . . . 15.24 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -32.11 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 73.239999999999995 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -42.37 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.88 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.37 76.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 73.400000000000006 112.498 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.15 -23.13 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 61.539999999999999 111.143 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.42 -39.73 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 110.912 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.6 61.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.081 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -30.55 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 71.230000000000004 110.884 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.78 -42.45 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.519999999999996 111.077 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.51 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 62.140000000000001 111.074 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.4 -21.43 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -123.77 62.63 1.06 Allowed 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 118.388 -0.815 . . . . 61.229999999999997 110.824 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -113.44 25.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.788 -1.096 . . . . 74.439999999999998 111.076 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.96 -69.09 1.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 71.310000000000002 112.533 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.21 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 53.509999999999998 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.35 -36.91 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.33 -50.07 49.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 53.140000000000001 111.095 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -22.49 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -83.04 -40.28 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.219999999999999 110.876 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -35.49 69.3 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-O 121.784 0.802 . . . . 74.409999999999997 110.853 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.128 -0.487 . . . . 62.100000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.52 -0.232 . . . . 65.420000000000002 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -31.59 65.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.891 0.377 . . . . 70.409999999999997 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -36.2 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.853 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -27.02 61.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 64.519999999999996 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.63 -29.07 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 74.329999999999998 111.167 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -26.28 68.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 73.310000000000002 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.54 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.420000000000002 111.037 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -32.2 26.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 74.150000000000006 110.853 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.9 -42.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 73.239999999999995 111.181 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.04 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 73.219999999999999 111.095 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.38 -27.34 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 61.350000000000001 111.043 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 11.9 t-160 -140.37 78.13 1.64 Allowed 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 118.404 -0.808 . . . . 74.109999999999999 110.867 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -115.95 25.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.805 -1.089 . . . . 74.540000000000006 111.141 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.6 88.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.515 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . . . -51.74 -70.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 73.25 111.075 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.91 -35.83 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 61.32 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.39 83.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 111.06 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -22.5 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.450000000000003 110.884 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -88.33 -33.41 17.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 64.129999999999995 110.808 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.18 -43.59 70.47 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.79 0.805 . . . . 73.409999999999997 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.888 0 CA-C-N 116.18 -0.464 . . . . 41.240000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 34.409999999999997 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -27.38 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 72.409999999999997 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -55.25 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.66 41.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 64.140000000000001 112.494 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.22 -25.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 70.120000000000005 111.142 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -49.54 67.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 63.310000000000002 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.34 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.088 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -30.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 72.430000000000007 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.93 -42.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.319999999999993 111.098 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.49 -25.32 61.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 111.113 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.89 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 111.053 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -133.74 60.04 1.72 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 118.39 -0.814 . . . . 73.140000000000001 110.845 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -121.62 26.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.801 -1.09 . . . . 73.319999999999993 111.121 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.74 -69.08 1.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 52.399999999999999 112.506 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.81 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 64.420000000000002 111.108 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.3 mt -51.66 -32.98 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 62.520000000000003 111.096 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.11 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 34.329999999999998 111.099 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -22.47 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.439999999999998 110.943 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -28.73 69.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.239999999999995 110.845 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -104.93 -20.31 13.59 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-O 121.773 0.797 . . . . 74.540000000000006 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.851 0 CA-C-N 116.195 -0.457 . . . . 52.450000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.442 -0.263 . . . . 71.409999999999997 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.76 -30.42 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 50.409999999999997 110.933 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.28 49.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.51 -32.95 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 53.299999999999997 112.458 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -28.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 74.540000000000006 111.136 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -28.6 69.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 110.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.18 74.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.549999999999997 111.099 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -30.81 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 61.420000000000002 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.67 -41.74 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 60.439999999999998 111.084 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.64 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.109999999999999 111.103 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.2 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.099999999999994 111.076 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -152.84 57.02 0.79 Allowed 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.448 -0.787 . . . . 75.430000000000007 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.3 p -128.85 6.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.828 -1.078 . . . . 54.219999999999999 111.143 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.68 -65.79 3.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 74.129999999999995 112.484 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.09 82.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 43.200000000000003 111.142 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.84 -37.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 111.142 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.53 83.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.420000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -22.52 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 52.109999999999999 110.877 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -90.51 -48.71 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 62.130000000000003 110.865 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.69 -70.4 0.13 Allowed 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.772 0.796 . . . . 75.120000000000005 110.89 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.852 0 CA-C-N 116.153 -0.476 . . . . 14.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.49 -0.244 . . . . 62.329999999999998 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -37.17 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 62.549999999999997 110.949 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -42.71 70.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.430000000000007 110.908 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.86 96.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 45.310000000000002 112.499 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.67 -23.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.239999999999995 111.144 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.2 tp -91.59 -39.82 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 61.439999999999998 110.867 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.89 -24.86 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 60.0 111.133 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.41 -27.0 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.03 -42.06 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 54.109999999999999 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.94 -25.31 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 111.1 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -125.26 83.46 2.17 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 118.376 -0.821 . . . . 44.25 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.2 p -108.76 6.95 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.809 -1.087 . . . . 74.219999999999999 111.105 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.37 -41.99 63.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 74.209999999999994 112.449 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.31 -62.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 44.530000000000001 111.154 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.76 -36.33 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.310000000000002 111.161 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.54 -46.09 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.439999999999998 111.106 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -22.55 56.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 43.219999999999999 110.905 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -54.58 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 40.229999999999997 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -61.45 -18.84 60.77 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 121.756 0.788 . . . . 60.020000000000003 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.866 0 CA-C-N 116.152 -0.476 . . . . 63.539999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.515 -0.234 . . . . 44.219999999999999 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -31.51 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.364 . . . . 73.129999999999995 110.944 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.11 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.879 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -19.37 59.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 73.450000000000003 112.527 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.41 -23.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 74.129999999999995 111.131 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.76 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 24.010000000000002 111.136 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -39.56 77.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.865 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.3 -41.85 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.14 -24.91 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 65.239999999999995 111.049 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.16 -23.72 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 34.420000000000002 111.108 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t60 -129.52 72.49 1.48 Allowed 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 118.409 -0.805 . . . . 63.049999999999997 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.0 p -109.93 7.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 114.783 -1.098 . . . . 53.130000000000003 111.095 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.13 -34.66 40.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 21.52 112.502 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . . . -61.01 -60.89 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 65.409999999999997 111.101 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.4 mt -58.73 -42.51 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 62.109999999999999 111.135 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.67 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 55.25 111.086 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -22.57 56.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.019999999999996 110.819 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -89.64 -26.79 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.883 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -22.96 47.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 121.77 0.795 . . . . 62.420000000000002 110.909 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.869 0 CA-C-N 116.175 -0.466 . . . . 61.340000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.63 ' O ' HG23 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.486 -0.246 . . . . 60.210000000000001 112.486 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -19.75 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 64.329999999999998 110.896 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -91.2 -26.92 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 70.540000000000006 110.889 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -17.72 46.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 74.140000000000001 112.483 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 1' ' ' GLY . 89.3 t -86.99 -23.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 64.120000000000005 111.143 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -91.6 -39.67 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 110.885 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.29 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 33.219999999999999 111.117 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -37.31 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.892 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.66 -42.55 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 111.161 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.1 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.430000000000007 111.125 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.38 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.099999999999994 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 2.3 t-80 -120.94 79.95 1.57 Allowed 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.4 -0.81 . . . . 73.109999999999999 110.841 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG13 HG13 ' A' ' 17' ' ' ILE . 3.3 t -142.17 25.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.847 -1.069 . . . . 74.129999999999995 111.133 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.85 -57.65 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 73.209999999999994 112.453 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . . . -51.54 -32.15 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 65.439999999999998 111.08 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.453 HG13 HG13 ' A' ' 14' ' ' VAL . 45.7 mm -51.43 -44.27 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 70.25 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.13 -54.91 40.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 71.400000000000006 111.092 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.62 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.219999999999999 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -77.64 -32.15 53.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 63.119999999999997 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -88.06 -22.43 24.18 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 121.798 0.808 . . . . 73.349999999999994 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.123 -0.49 . . . . 62.420000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.495 -0.242 . . . . 74.5 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.88 -28.25 69.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 73.200000000000003 110.931 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -33.99 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -26.62 57.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 54.299999999999997 112.478 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.62 -31.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 73.329999999999998 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -43.51 97.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.400000000000006 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -26.1 38.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 70.420000000000002 111.073 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -26.37 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.010000000000005 110.882 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.23 -42.49 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.146 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.51 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 65.349999999999994 111.134 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.31 4.54 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 74.129999999999995 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -116.21 86.57 2.51 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 118.404 -0.807 . . . . 63.049999999999997 110.818 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.7 t -144.45 25.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.806 -1.088 . . . . 71.510000000000005 111.062 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.72 -69.06 1.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 24.530000000000001 112.499 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.04 80.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 111.101 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.71 -31.07 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 111.104 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.81 -53.15 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 32.310000000000002 111.105 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -22.46 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.854 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -78.85 -52.35 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 54.509999999999998 110.843 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -67.59 -17.79 64.76 Favored 'General case' 0 C--O 1.207 -1.173 0 CA-C-O 121.795 0.807 . . . . 74.439999999999998 110.894 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.142 -0.481 . . . . 3.3500000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.245 . . . . 75.450000000000003 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -33.02 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 71.5 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -40.07 65.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.409999999999997 110.908 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 -24.22 75.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.420000000000002 112.509 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.35 -33.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 72.239999999999995 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -36.72 82.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 70.319999999999993 110.905 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.37 -25.78 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.040000000000006 111.055 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -42.6 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.439999999999998 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.92 -42.88 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 63.420000000000002 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' ILE . . . -63.23 -25.19 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 73.310000000000002 111.121 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.87 -1.56 49.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.450000000000003 111.095 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -125.73 69.63 1.18 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 118.371 -0.824 . . . . 65.239999999999995 110.839 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -114.97 26.1 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 72.409999999999997 111.112 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.91 -69.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 74.310000000000002 112.504 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB1' ' NE2' ' A' ' 20' ' ' HIS . . . -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 74.409999999999997 111.135 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 10' ' ' ALA . 62.5 mt -51.53 -30.18 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 111.14 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.08 -51.49 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 31.25 111.117 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -21.27 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 71.120000000000005 110.858 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' NE2' ' HB1' ' A' ' 16' ' ' ALA . 6.1 m-70 -82.9 -44.24 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 110.849 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -40.79 0.26 Allowed 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 121.735 0.779 . . . . 72.230000000000004 110.856 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.877 0 CA-C-N 116.184 -0.462 . . . . 52.420000000000002 . . . . . . . . . . 1 1 . 1 stop_ save_