data_2l0n_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 2l0n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.904 0.383 . . . . 74.51 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -120.66 26.59 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.898 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.53 -38.76 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.34 111.08 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.15 -35.59 20.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.899 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -53.86 -37.68 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.89 -19.67 59.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 75.52 112.532 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.33 -42.2 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 74.24 111.179 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -80.58 57.91 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.45 110.938 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -175.37 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.31 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -90.91 -22.01 21.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.4 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.79 12.5 9.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.952 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -114.42 -25.86 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -51.83 -39.1 58.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 70.01 110.837 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.9 p -150.58 89.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.45 111.142 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mmm -146.32 -74.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.5 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -105.18 24.79 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.25 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.901 0.381 . . . . 75.41 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 26.47 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.851 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -36.05 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -87.02 -39.03 16.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 73.4 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -32.78 17.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.835 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -22.56 60.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 64.21 112.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.59 -38.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 74.14 111.114 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -81.01 57.53 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 tp -175.37 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 -21.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.122 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.39 12.61 8.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.92 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -113.15 -25.49 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.2 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -51.89 -39.46 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.82 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -150.62 89.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.3 mmm -146.65 -74.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.857 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.19 24.37 10.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 75.5 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.888 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.881 0.372 . . . . 73.4 110.939 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.48 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 61.32 110.858 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.86 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 64.25 111.067 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -88.95 -30.11 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.917 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.44 -35.14 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.23 110.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.78 -20.03 67.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 53.02 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.68 -45.52 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 71.12 111.163 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.37 59.86 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.897 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -91.99 -22.42 19.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.15 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.99 13.11 9.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.929 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.61 -26.2 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 71.55 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -51.78 -38.65 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.54 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -150.62 89.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.41 111.15 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmt -146.06 -74.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.828 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 24.75 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.895 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.909 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.873 0.368 . . . . 74.24 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -117.75 26.2 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 62.11 110.871 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.44 -34.81 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.12 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -42.96 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -58.93 -33.71 70.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.842 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -33.67 38.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 70.02 112.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.66 -46.46 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 74.15 111.129 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.08 53.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.907 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -175.33 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.896 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -91.42 -22.9 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.118 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.09 12.66 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -116.11 -26.43 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 65.24 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.89 -38.47 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -150.64 89.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.104 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.8 mmm -146.23 -74.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.878 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.46 24.77 11.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 75.23 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.939 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.916 0.389 . . . . 74.55 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -160.87 26.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 65.14 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -43.22 2.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.142 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.64 -25.78 14.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.5 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -56.76 -27.36 59.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 62.52 110.863 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.63 -4.18 74.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.459 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.31 -23.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 74.24 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.7 46.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.97 -41.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.53 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.16 -24.37 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 65.12 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -123.85 -3.21 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.894 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.23 -26.07 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.77 -31.79 28.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 75.14 110.839 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -150.6 87.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.127 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmm -139.38 -73.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.898 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -1.47 55.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.919 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.897 0.38 . . . . 72.14 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 26.55 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.24 25.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.17 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.46 -42.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -34.87 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.34 -20.49 61.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 71.14 112.469 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.97 -56.07 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.34 111.151 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.03 61.09 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.954 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -170.75 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 75.01 110.93 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -75.94 -5.26 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.02 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -131.4 4.72 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.956 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.33 -22.5 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 55.11 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.48 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.91 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -150.6 90.79 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 52.13 111.148 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.6 mmt -149.01 -74.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.854 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -104.26 25.98 9.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 71.03 110.889 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.931 0.396 . . . . 73.45 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 26.51 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 73.43 110.854 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.86 -36.83 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -26.4 19.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.45 110.908 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.37 -37.98 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.873 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.37 -21.09 47.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.451 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.41 -51.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 75.02 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.29 61.82 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.898 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.56 -3.54 41.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.123 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -129.51 -32.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -50.05 -32.83 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -53.54 -36.66 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.895 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.1 p -137.05 80.35 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.101 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -75.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.903 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.13 3.68 54.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.938 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.858 0.361 . . . . 74.52 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.86 26.56 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.878 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.26 -51.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.24 111.096 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.15 -32.63 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -55.35 -27.33 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.26 -19.73 77.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 74.31 112.476 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.58 -46.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.727 0.298 . . . . 75.23 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -77.32 61.61 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.9 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -43.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -3.35 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -129.78 -32.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 54.14 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.91 -32.69 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -52.76 -38.79 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -150.93 88.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.42 111.165 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -153.91 -41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.907 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -102.5 -12.01 18.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.943 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.883 0.373 . . . . 73.21 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -123.06 25.25 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.845 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 -34.75 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.2 111.12 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -25.6 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.835 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -26.69 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 71.43 110.873 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.4 -2.71 80.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 34.24 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.87 -23.5 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 64.2 111.117 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.65 49.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.13 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -26.16 64.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.53 111.199 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -121.16 -11.15 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.931 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -91.79 -17.62 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.08 -39.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.849 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -150.95 91.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.18 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.7 ptm -156.02 -36.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.846 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -117.92 -6.33 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.904 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.954 0.407 . . . . 74.15 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.84 26.64 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 71.41 110.837 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 25.21 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 63.35 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -152.11 -57.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.53 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.61 -33.64 31.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.871 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -20.09 79.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 51.42 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.07 -47.4 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 71.52 111.07 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -79.1 59.85 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 tp -170.31 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.5 p -76.04 -5.2 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.05 111.156 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.66 4.97 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.947 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -98.39 -22.55 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 73.23 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.46 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 p -150.55 90.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.51 111.156 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.3 mmm -149.07 -74.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.01 25.99 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.912 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.914 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 74.12 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.25 27.24 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.857 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.16 -43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 72.03 111.087 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -34.65 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -54.55 -37.61 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.853 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -19.69 51.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.466 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.19 -42.22 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 64.4 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -79.29 59.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.924 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.93 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.889 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -69.7 -26.7 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.24 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -118.1 -17.09 9.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.911 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -80.48 -29.68 37.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -51.78 -30.15 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 75.11 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -150.37 86.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.34 111.124 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -73.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.911 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pp -112.71 24.78 12.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.92 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.891 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.3 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.869 0.366 . . . . 73.21 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 26.95 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.838 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.53 25.49 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 60.33 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.29 -52.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -24.32 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.77 66.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 62.43 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.72 -17.66 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 75.14 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -90.02 46.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.38 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.942 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 -22.29 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.03 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 12.8 9.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 73.43 110.972 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -116.12 -26.06 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 74.25 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -51.63 -38.79 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 63.34 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -134.74 74.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.149 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -70.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.44 110.916 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.92 23.97 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.25 110.894 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.895 0.379 . . . . 72.23 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 33.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.22 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.0 31.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.31 111.114 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -170.37 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -34.13 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.88 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.78 -21.16 62.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 61.34 112.468 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 -44.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 74.22 111.125 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.66 55.41 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.21 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -90.76 -24.16 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 54.34 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.76 11.41 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.925 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -116.68 -25.97 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.1 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -51.76 -38.02 53.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.1 p -123.61 61.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.141 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -73.62 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 70.14 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.18 21.5 14.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.881 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.868 0.366 . . . . 74.24 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 26.11 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.4 110.859 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.23 -36.35 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.44 111.079 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -34.16 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -29.91 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.52 57.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 63.11 112.496 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -92.92 -28.79 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 64.32 111.087 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 36.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -155.16 -41.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 p -70.18 -24.6 63.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -126.9 -3.33 6.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.905 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -50.64 -27.68 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -54.19 -28.98 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.5 p -127.37 38.6 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.12 111.151 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -123.69 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.892 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.3 2.64 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.22 110.921 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.924 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.89 0.376 . . . . 74.11 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.56 31.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 62.43 110.889 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.25 -40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.02 111.143 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.46 -27.85 59.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.4 -30.07 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.868 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.3 -19.82 66.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 70.24 112.494 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.28 -49.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.785 0.326 . . . . 74.12 111.114 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -77.35 61.78 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.76 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -73.34 -23.09 60.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -128.13 -1.05 5.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -54.36 -34.13 60.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -60.37 -23.65 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 75.03 110.884 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -141.41 63.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.116 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.35 110.865 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 21.79 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.916 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 74.22 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -118.61 26.21 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 74.33 110.859 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.9 -35.99 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.23 111.049 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -29.4 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.886 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -98.04 -35.33 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.01 -19.56 45.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.758 . . . . 54.5 112.495 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.63 -58.03 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 71.33 111.156 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -77.18 62.74 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.09 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -68.27 -25.36 65.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.181 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -119.92 -10.95 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 73.12 110.905 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -104.77 37.82 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 63.25 110.944 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -120.93 -8.02 9.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.3 110.84 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -151.22 36.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.132 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.3 ptm -127.21 -36.33 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -117.81 -14.12 10.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 75.15 110.921 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.914 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.885 0.374 . . . . 74.15 110.935 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 25.84 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 73.44 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -38.49 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.512 . . . . 74.34 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.41 -33.47 23.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -62.43 -44.55 96.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.66 -32.41 54.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.511 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -78.21 -43.72 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.334 . . . . 73.02 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -86.27 53.94 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.902 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -92.37 -22.21 19.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.62 13.14 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.911 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -113.67 -27.03 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.84 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.92 -38.81 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.855 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.4 p -114.14 46.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 72.24 111.19 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.83 -68.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -1.84 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.939 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 74.4 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -123.07 26.44 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.826 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 -40.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 70.43 111.069 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -81.89 -26.32 34.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.88 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -26.55 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.895 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.96 -19.7 67.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 74.01 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.45 -47.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.334 . . . . 75.35 111.13 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -77.46 61.1 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.19 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.77 -27.43 61.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.35 111.173 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -126.61 -0.95 6.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.908 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.54 42.09 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -116.55 -37.99 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.851 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -123.75 55.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 64.03 111.13 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -141.03 -43.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.877 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.23 -1.54 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.52 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.858 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 75.42 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -128.39 32.39 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.38 -52.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 71.31 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -34.23 32.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -65.27 -29.11 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 74.1 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.93 -23.41 71.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 62.15 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.26 -49.19 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 72.35 111.101 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.55 60.95 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 63.03 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.4 110.96 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.68 -22.73 20.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 60.24 111.104 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.58 12.55 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.32 110.894 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.51 -25.65 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.8 -37.9 53.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.8 p -150.59 89.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -74.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.855 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 24.93 11.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.899 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.928 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.91 0.386 . . . . 73.42 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.91 26.37 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 64.32 110.866 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.96 -36.02 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 60.24 111.114 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.37 -30.37 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.901 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -79.47 -26.13 41.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.93 19.39 49.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.512 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 t -141.27 -44.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 74.1 111.099 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -83.4 55.69 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -175.41 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.945 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -21.57 21.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.03 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.07 12.63 8.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 70.4 110.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -113.23 -25.59 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -51.81 -39.44 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.902 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -150.63 89.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.02 111.147 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mmt -146.44 -74.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.97 24.62 11.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.53 110.933 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.7 tttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 75.23 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -106.25 41.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.03 110.88 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -77.41 -34.4 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -101.4 76.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.923 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -171.17 -37.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.24 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.76 -25.27 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.108 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -112.06 26.01 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.866 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.95 -34.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.2 mm -101.08 -25.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.32 111.159 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -58.4 -28.26 65.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 74.45 110.919 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.76 -26.34 12.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 74.51 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -120.66 26.59 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.898 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.53 -38.76 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.34 111.08 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.15 -35.59 20.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.899 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -53.86 -37.68 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.89 -19.67 59.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 75.52 112.532 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.33 -42.2 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 74.24 111.179 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -80.58 57.91 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.45 110.938 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -175.37 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.31 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -90.91 -22.01 21.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.4 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.79 12.5 9.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.952 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -114.42 -25.86 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -51.83 -39.1 58.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 70.01 110.837 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.9 p -150.58 89.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.45 111.142 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mmm -146.32 -74.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.5 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -105.18 24.79 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.25 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.14 19.11 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.883 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 56.51 24.26 8.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.34 110.888 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.91 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 72.14 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp 55.6 56.01 6.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.898 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -69.97 -52.13 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.23 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.65 52.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.899 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -146.05 -42.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 64.33 111.125 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.05 -25.07 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.128 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttm -108.93 25.94 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.31 -33.38 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.42 111.175 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.0 mt -102.79 -25.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.75 -42.8 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.895 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.62 -26.08 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 64.31 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.2 -29.93 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 26.47 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.851 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -36.05 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -87.02 -39.03 16.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 73.4 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -32.78 17.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.835 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -22.56 60.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 64.21 112.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.59 -38.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 74.14 111.114 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -81.01 57.53 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 tp -175.37 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 -21.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.122 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.39 12.61 8.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.92 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -113.15 -25.49 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.2 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -51.89 -39.46 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.82 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -150.62 89.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.3 mmm -146.65 -74.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.857 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.19 24.37 10.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 75.5 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -114.61 18.93 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 24.45 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.04 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.879 0.371 . . . . 75.11 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.0 80.11 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.82 150.35 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.873 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 61.71 26.22 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.913 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.58 -50.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 75.33 111.105 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.09 23.79 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 53.44 111.075 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.42 21.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.852 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.53 -35.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 75.12 111.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mt -94.38 -25.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.144 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -59.54 -27.0 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.91 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.96 -29.08 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.52 28.1 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.939 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.48 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 61.32 110.858 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.86 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 64.25 111.067 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -88.95 -30.11 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.917 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.44 -35.14 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.23 110.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.78 -20.03 67.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 53.02 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.68 -45.52 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 71.12 111.163 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.37 59.86 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.897 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -91.99 -22.42 19.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.15 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.99 13.11 9.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.929 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.61 -26.2 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 71.55 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -51.78 -38.65 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.54 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -150.62 89.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.41 111.15 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmt -146.06 -74.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.828 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 24.75 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.895 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.61 19.17 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.909 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp 56.68 24.08 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.921 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.888 0.375 . . . . 70.54 110.914 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 52.87 72.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.922 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -108.66 26.3 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.872 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -153.93 27.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.1 t -146.1 -50.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.21 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.04 23.71 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.42 111.105 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -150.29 21.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.48 -35.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.133 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.37 -25.12 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.15 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -58.38 -25.72 62.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.4 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.87 -34.52 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 73.44 110.928 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.916 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -117.75 26.2 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 62.11 110.871 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.44 -34.81 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.12 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -42.96 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -58.93 -33.71 70.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.842 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -33.67 38.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 70.02 112.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.66 -46.46 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 74.15 111.129 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.08 53.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.907 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -175.33 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.896 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -91.42 -22.9 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.118 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.09 12.66 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -116.11 -26.43 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 65.24 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.89 -38.47 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -150.64 89.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.104 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.8 mmm -146.23 -74.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.878 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.46 24.77 11.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 75.23 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -114.01 19.47 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mttt 56.42 24.19 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.906 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 74.31 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 171.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.888 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -56.02 -32.15 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.893 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -106.95 38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.89 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.26 -52.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.157 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.04 23.77 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 71.24 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mtt -150.4 20.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.865 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.63 -35.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 73.52 111.104 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.06 -25.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 73.13 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -64.59 -26.04 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.45 -25.79 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 62.23 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -95.96 26.05 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 74.55 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -160.87 26.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 65.14 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -43.22 2.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.142 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.64 -25.78 14.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.5 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -56.76 -27.36 59.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 62.52 110.863 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.63 -4.18 74.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.459 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.31 -23.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 74.24 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.7 46.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.97 -41.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.53 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.16 -24.37 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 65.12 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -123.85 -3.21 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.894 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.23 -26.07 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.77 -31.79 28.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 75.14 110.839 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -150.6 87.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.127 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmm -139.38 -73.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.898 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -1.47 55.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.09 18.76 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.919 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.88 24.93 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.909 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.947 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 tttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 73.24 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -129.53 114.58 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.905 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.62 139.74 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.878 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.66 25.83 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.954 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.0 t -143.92 -54.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 74.24 111.141 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.92 23.58 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.31 111.116 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtp -150.49 20.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.58 -35.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.45 111.154 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -90.51 -25.79 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.21 111.145 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -64.67 -61.71 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.942 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -26.85 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -28.45 33.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.929 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 26.55 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.24 25.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.17 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.46 -42.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -34.87 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.34 -20.49 61.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 71.14 112.469 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.97 -56.07 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.34 111.151 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.03 61.09 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.954 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -170.75 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 75.01 110.93 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -75.94 -5.26 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.02 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -131.4 4.72 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.956 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.33 -22.5 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 55.11 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.48 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.91 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -150.6 90.79 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 52.13 111.148 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.6 mmt -149.01 -74.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.854 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -104.26 25.98 9.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 71.03 110.889 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.91 18.89 15.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.867 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? 56.13 24.61 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.94 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 75.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 pttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 73.43 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -95.1 77.67 3.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.882 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -100.65 27.81 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.92 28.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.924 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -144.13 -42.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.141 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.51 -25.13 15.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.13 111.161 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttt -107.83 25.93 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.844 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.1 -33.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.44 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.8 mt -102.78 -25.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -59.06 -32.33 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.869 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mt -99.14 -26.07 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -65.27 -26.27 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.955 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 26.51 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 73.43 110.854 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.86 -36.83 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -26.4 19.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.45 110.908 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.37 -37.98 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.873 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.37 -21.09 47.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.451 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.41 -51.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 75.02 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.29 61.82 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.898 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.56 -3.54 41.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.123 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -129.51 -32.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -50.05 -32.83 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -53.54 -36.66 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.895 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.1 p -137.05 80.35 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.101 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -75.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.903 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.13 3.68 54.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -94.46 19.86 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.938 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.42 24.21 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.885 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.9 mttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.887 0.375 . . . . 74.15 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.02 -171.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.896 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -54.14 -27.78 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -99.26 31.26 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 64.35 110.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.5 t -144.89 -51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.34 111.122 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.95 23.79 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.43 21.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.905 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.59 -35.9 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 73.44 111.171 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -94.68 -25.32 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.111 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.96 -25.96 11.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -55.81 -25.76 43.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.86 26.56 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.878 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.26 -51.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.24 111.096 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.15 -32.63 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -55.35 -27.33 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.26 -19.73 77.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 74.31 112.476 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.58 -46.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.727 0.298 . . . . 75.23 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -77.32 61.61 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.9 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -43.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -3.35 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -129.78 -32.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 54.14 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.91 -32.69 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -52.76 -38.79 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -150.93 88.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.42 111.165 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -153.91 -41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.907 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -102.5 -12.01 18.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -93.22 18.53 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.943 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm 56.46 24.54 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.905 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 70.23 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -125.91 85.56 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.925 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -107.81 -28.02 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 75.03 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.26 33.76 4.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.951 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.0 t -146.07 -54.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 74.34 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.94 23.8 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.44 111.091 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 ttp -150.63 20.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.826 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.64 -35.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.43 111.151 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.5 mt -94.46 -25.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 65.43 111.137 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -64.13 -25.93 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.895 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.84 -25.74 11.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.893 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -55.7 -25.96 42.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -123.06 25.25 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.845 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 -34.75 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.2 111.12 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -25.6 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.835 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -26.69 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 71.43 110.873 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.4 -2.71 80.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 34.24 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.87 -23.5 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 64.2 111.117 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.65 49.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.13 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -26.16 64.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.53 111.199 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -121.16 -11.15 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.931 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -91.79 -17.62 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.08 -39.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.849 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -150.95 91.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.18 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.7 ptm -156.02 -36.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.846 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -117.92 -6.33 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -94.44 20.1 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.904 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 56.2 24.53 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.897 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.907 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.8 mttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 74.03 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.06 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.851 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -75.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -97.31 40.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.924 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -147.79 -42.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.49 -24.93 14.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 65.23 111.084 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.2 mtp -108.55 25.76 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 62.21 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.88 -33.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -102.69 -25.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.076 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -60.76 -41.86 96.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.921 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.45 -26.26 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 71.25 110.925 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -53.79 -28.37 34.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.955 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.84 26.64 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 71.41 110.837 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 25.21 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 63.35 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -152.11 -57.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.53 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.61 -33.64 31.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.871 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -20.09 79.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 51.42 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.07 -47.4 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 71.52 111.07 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -79.1 59.85 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 tp -170.31 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.5 p -76.04 -5.2 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.05 111.156 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.66 4.97 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.947 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -98.39 -22.55 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 73.23 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.46 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 p -150.55 90.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.51 111.156 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.3 mmm -149.07 -74.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.01 25.99 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.912 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -115.91 18.99 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.16 24.55 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 73.22 110.883 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 74.43 110.918 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 72.31 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 94.15 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.899 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -124.46 -36.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 65.12 110.848 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -95.75 34.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.889 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -145.31 -50.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.107 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.115 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.33 21.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.57 -35.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.15 111.13 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mt -94.78 -25.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -60.98 -26.04 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.948 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.15 -26.88 10.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -53.36 -28.99 31.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.25 27.24 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.857 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.16 -43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 72.03 111.087 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -34.65 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -54.55 -37.61 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.853 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -19.69 51.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.466 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.19 -42.22 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 64.4 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -79.29 59.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.924 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.93 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.889 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -69.7 -26.7 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.24 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -118.1 -17.09 9.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.911 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -80.48 -29.68 37.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -51.78 -30.15 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 75.11 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -150.37 86.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.34 111.124 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -73.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.911 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pp -112.71 24.78 12.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.92 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -114.84 22.03 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.75 20.07 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.923 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.843 0.354 . . . . 74.02 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -137.1 32.41 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.962 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -83.65 -26.86 29.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.844 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -104.33 37.09 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.906 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -146.81 -49.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 75.03 111.144 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.97 23.65 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.43 111.138 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.7 mtp -150.22 21.17 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.865 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.52 -35.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.114 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.41 -25.8 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.05 111.093 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.57 -58.12 9.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.55 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.58 68.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 71.42 110.926 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -55.34 -26.55 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.881 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 26.95 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.838 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.53 25.49 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 60.33 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.29 -52.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -24.32 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.77 66.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 62.43 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.72 -17.66 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 75.14 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -90.02 46.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.38 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.942 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 -22.29 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.03 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 12.8 9.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 73.43 110.972 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -116.12 -26.06 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 74.25 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -51.63 -38.79 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 63.34 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -134.74 74.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.149 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -70.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.44 110.916 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.92 23.97 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -114.94 20.96 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.25 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.88 20.57 11.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.892 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.7 tttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.854 0.359 . . . . 74.02 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt 55.78 62.91 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.946 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.86 -30.25 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.908 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -99.25 28.65 4.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.939 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.5 t -146.34 -50.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 73.03 111.138 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 23.7 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 65.22 111.113 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 21.14 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.877 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.5 -35.81 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 64.33 111.122 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -93.98 -26.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.53 111.158 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -60.12 -33.81 72.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.1 110.909 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mt -99.35 -26.64 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.53 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -96.11 26.32 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 33.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.22 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.0 31.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.31 111.114 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -170.37 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -34.13 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.88 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.78 -21.16 62.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 61.34 112.468 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 -44.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 74.22 111.125 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.66 55.41 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.21 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -90.76 -24.16 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 54.34 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.76 11.41 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.925 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -116.68 -25.97 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.1 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -51.76 -38.02 53.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.1 p -123.61 61.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.141 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -73.62 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 70.14 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.18 21.5 14.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -113.52 21.8 14.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.881 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 62.06 20.17 11.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 73.14 110.837 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.906 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.877 0.37 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 -173.24 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.854 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 64.45 18.18 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.43 23.4 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.909 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -144.29 -41.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.23 111.161 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.39 22.07 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.093 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.6 mmt -150.5 19.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.92 -35.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 72.54 111.133 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.3 mm -96.65 -24.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 71.01 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.05 -25.61 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.859 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -37.24 6.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 65.31 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.67 -24.35 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.884 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 26.11 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.4 110.859 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.23 -36.35 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.44 111.079 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -34.16 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -29.91 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.52 57.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 63.11 112.496 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -92.92 -28.79 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 64.32 111.087 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 36.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -155.16 -41.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 p -70.18 -24.6 63.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -126.9 -3.33 6.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.905 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -50.64 -27.68 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -54.19 -28.98 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.5 p -127.37 38.6 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.12 111.151 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -123.69 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.892 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.3 2.64 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.22 110.921 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -94.13 20.42 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.924 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 57.73 22.81 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.903 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.919 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.9 tttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 75.31 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.54 91.8 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.921 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -102.5 149.7 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.832 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 58.46 26.24 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.921 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.94 -50.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 23.69 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.13 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.27 21.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.48 -35.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 64.21 111.115 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.56 -27.27 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.118 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -60.45 -29.45 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 71.41 110.905 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.69 -29.37 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 72.22 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -97.55 26.52 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.56 31.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 62.43 110.889 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.25 -40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.02 111.143 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.46 -27.85 59.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.4 -30.07 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.868 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.3 -19.82 66.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 70.24 112.494 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.28 -49.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.785 0.326 . . . . 74.12 111.114 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -77.35 61.78 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.76 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -73.34 -23.09 60.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -128.13 -1.05 5.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -54.36 -34.13 60.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -60.37 -23.65 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 75.03 110.884 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -141.41 63.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.116 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.35 110.865 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 21.79 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -113.19 21.62 15.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.916 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mttp 61.7 20.66 11.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.874 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 pttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.888 0.375 . . . . 73.32 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -136.06 -174.47 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.887 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 75.01 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.48 47.8 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.964 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.5 t -149.0 -42.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 75.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.95 -25.24 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.42 111.077 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttt -108.25 26.03 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.83 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.17 -33.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 71.03 111.18 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.2 mt -102.54 -25.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 75.11 111.138 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -59.2 -25.95 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -107.91 -32.65 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.52 110.928 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.18 -25.76 68.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -118.61 26.21 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 74.33 110.859 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.9 -35.99 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.23 111.049 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -29.4 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.886 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -98.04 -35.33 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.01 -19.56 45.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.758 . . . . 54.5 112.495 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.63 -58.03 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 71.33 111.156 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -77.18 62.74 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.09 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -68.27 -25.36 65.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.181 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -119.92 -10.95 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 73.12 110.905 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -104.77 37.82 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 63.25 110.944 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -120.93 -8.02 9.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.3 110.84 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -151.22 36.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.132 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.3 ptm -127.21 -36.33 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -117.81 -14.12 10.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 75.15 110.921 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.2 18.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 3.1 mttp 63.37 21.29 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.894 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 65.22 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 71.22 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -135.26 89.18 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -80.06 144.05 33.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.863 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 63.08 36.07 12.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.901 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.3 t -145.0 -69.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 64.33 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.04 -5.3 53.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.092 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -115.11 25.7 10.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.882 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.17 -60.76 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.3 111.168 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.9 mt -81.23 -4.19 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 55.31 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -95.4 -20.21 19.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.9 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -127.2 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -25.08 47.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.935 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 25.84 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 73.44 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -38.49 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.512 . . . . 74.34 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.41 -33.47 23.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -62.43 -44.55 96.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.66 -32.41 54.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.511 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -78.21 -43.72 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.334 . . . . 73.02 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -86.27 53.94 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.902 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -92.37 -22.21 19.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.62 13.14 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.911 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -113.67 -27.03 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.84 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.92 -38.81 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.855 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.4 p -114.14 46.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 72.24 111.19 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.83 -68.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -1.84 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -94.41 19.85 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.939 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' LYS . 17.4 mttt 62.8 20.86 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.44 110.899 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.921 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 73.42 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -118.07 -80.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.901 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.18 -81.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.854 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -93.67 68.25 3.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 74.4 110.935 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -177.46 -33.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 70.12 111.129 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.11 -25.18 15.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 71.31 111.047 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ttt -110.95 24.79 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 74.24 110.891 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.66 -35.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.41 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mm -97.87 -25.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 72.54 111.102 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.84 -50.88 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.916 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.95 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 75.52 110.911 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -55.41 -26.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.924 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -123.07 26.44 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.826 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 -40.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 70.43 111.069 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -81.89 -26.32 34.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.88 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -26.55 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.895 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.96 -19.7 67.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 74.01 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.45 -47.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.334 . . . . 75.35 111.13 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -77.46 61.1 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.19 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.77 -27.43 61.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.35 111.173 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -126.61 -0.95 6.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.908 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.54 42.09 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -116.55 -37.99 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.851 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -123.75 55.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 64.03 111.13 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -141.03 -43.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.877 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.23 -1.54 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.52 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -94.36 20.21 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.858 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.46 23.47 9.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.889 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.886 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 mttt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.871 0.367 . . . . 71.12 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.01 173.32 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.924 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -66.04 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.879 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.91 43.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.91 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.44 -58.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 75.12 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.89 -17.77 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 72.23 111.077 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.96 23.13 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.16 -41.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 74.53 111.105 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.89 19.58 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 75.44 111.109 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.45 -36.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.879 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.74 -26.15 11.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 75.54 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -56.6 -26.44 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.891 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -128.39 32.39 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.38 -52.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 71.31 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -34.23 32.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -65.27 -29.11 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 74.1 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.93 -23.41 71.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 62.15 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.26 -49.19 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 72.35 111.101 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.55 60.95 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 63.03 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.4 110.96 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.68 -22.73 20.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 60.24 111.104 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.58 12.55 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.32 110.894 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.51 -25.65 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.8 -37.9 53.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.8 p -150.59 89.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -74.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.855 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 24.93 11.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.899 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.99 19.14 16.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.928 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt 56.72 24.01 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.899 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.916 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.78 0.324 . . . . 74.04 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.0 tptp 54.75 72.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.927 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -51.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.871 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -94.41 48.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.93 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -141.8 -57.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.24 111.123 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.81 -17.71 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.128 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.9 23.1 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.857 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.19 -41.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.11 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 19.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.32 111.147 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.47 -36.67 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.961 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.18 -27.33 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.16 -26.42 62.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.915 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.91 26.37 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 64.32 110.866 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.96 -36.02 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 60.24 111.114 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.37 -30.37 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.901 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -79.47 -26.13 41.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.93 19.39 49.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.512 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 t -141.27 -44.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 74.1 111.099 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -83.4 55.69 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -175.41 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.945 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -21.57 21.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.03 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.07 12.63 8.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 70.4 110.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -113.23 -25.59 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -51.81 -39.44 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.902 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -150.63 89.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.02 111.147 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mmt -146.44 -74.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.97 24.62 11.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.56 19.05 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.53 110.933 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 56.44 24.3 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 72.52 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.87 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.904 0.383 . . . . 74.51 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -120.66 26.59 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.898 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.53 -38.76 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.34 111.08 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.15 -35.59 20.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.899 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -53.86 -37.68 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.89 -19.67 59.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 75.52 112.532 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.33 -42.2 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.42 111.179 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -80.58 57.91 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.938 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -175.37 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 63.15 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -90.91 -22.01 21.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.24 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.79 12.5 9.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.952 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -114.42 -25.86 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -51.83 -39.1 58.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 64.33 110.837 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.9 p -150.58 89.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.142 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mmm -146.32 -74.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.5 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -105.18 24.79 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.901 0.381 . . . . 54.31 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 26.47 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.851 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -36.05 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -87.02 -39.03 16.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 61.01 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -32.78 17.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 53.12 110.835 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -22.56 60.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 62.14 112.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.59 -38.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 52.45 111.114 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -81.01 57.53 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 tp -175.37 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 -21.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.122 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.39 12.61 8.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.92 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -113.15 -25.49 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 64.44 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -51.89 -39.46 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.82 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -150.62 89.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 64.3 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.3 mmm -146.65 -74.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.857 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.19 24.37 10.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 75.5 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.888 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.881 0.372 . . . . 61.1 110.939 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.48 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 61.32 110.858 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.86 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 63.1 111.067 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -88.95 -30.11 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.05 110.917 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.44 -35.14 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.23 110.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.78 -20.03 67.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 53.02 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.68 -45.52 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 71.12 111.163 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.37 59.86 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.897 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 HG23 ' A' ' 21' ' ' THR . 0.4 OUTLIER -179.23 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.31 110.905 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 20' ' ' LEU . 25.6 p -91.99 -22.42 19.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.15 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.99 13.11 9.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.929 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.61 -26.2 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 71.55 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -51.78 -38.65 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.54 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -150.62 89.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.41 111.15 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmt -146.06 -74.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 62.45 110.828 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 24.75 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.895 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.909 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.873 0.368 . . . . 64.24 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -117.75 26.2 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 62.11 110.871 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.44 -34.81 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.12 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -42.96 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HE ' HD13 ' A' ' 20' ' ' LEU . 11.9 tpt180 -58.93 -33.71 70.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -33.67 38.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 63.31 112.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.66 -46.46 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 74.15 111.129 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.08 53.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.907 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 HD13 ' HE ' ' A' ' 16' ' ' ARG . 3.2 tp -175.33 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.896 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -91.42 -22.9 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.118 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.09 12.66 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -116.11 -26.43 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 65.24 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.89 -38.47 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -150.64 89.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.104 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.8 mmm -146.23 -74.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.878 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.46 24.77 11.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.35 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 62.04 110.939 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.916 0.389 . . . . 71.4 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -160.87 26.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 30.42 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -43.22 2.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 65.45 111.142 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.64 -25.78 14.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.5 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -56.76 -27.36 59.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.863 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.63 -4.18 74.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.459 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.31 -23.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 70.41 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.7 46.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.97 -41.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 61.02 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.16 -24.37 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 60.35 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -123.85 -3.21 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.894 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.23 -26.07 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.77 -31.79 28.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 75.14 110.839 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -150.6 87.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.127 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmm -139.38 -73.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.898 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -1.47 55.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.45 110.919 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.897 0.38 . . . . 72.14 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 26.55 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.24 25.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.17 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.46 -42.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -34.87 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.34 -20.49 61.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 61.11 112.469 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.97 -56.07 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.34 111.151 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.03 61.09 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.954 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -170.75 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.93 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -75.94 -5.26 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 50.54 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -131.4 4.72 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.956 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.33 -22.5 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 51.03 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.48 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.91 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -150.6 90.79 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 45.53 111.148 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.6 mmt -149.01 -74.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.854 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -104.26 25.98 9.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 71.03 110.889 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.931 0.396 . . . . 73.45 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 26.51 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 61.53 110.854 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.86 -36.83 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.15 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -26.4 19.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.45 110.908 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.37 -37.98 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.873 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.37 -21.09 47.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 42.34 112.451 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.41 -51.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 73.42 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.29 61.82 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.898 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.56 -3.54 41.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.123 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -129.51 -32.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -50.05 -32.83 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 41.44 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.3 p80 -53.54 -36.66 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.895 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.568 HG23 ' ND1' ' A' ' 24' ' ' HIS . 73.1 p -137.05 80.35 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.101 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -75.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.903 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.13 3.68 54.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.938 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.858 0.361 . . . . 63.54 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.86 26.56 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.878 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.26 -51.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 50.23 111.096 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.15 -32.63 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -55.35 -27.33 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.26 -19.73 77.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 70.11 112.476 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.58 -46.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.727 0.298 . . . . 73.24 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -77.32 61.61 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.9 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -43.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 70.12 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -3.35 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -129.78 -32.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 53.41 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.91 -32.69 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -52.76 -38.79 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -150.93 88.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.42 111.165 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -153.91 -41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.907 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -102.5 -12.01 18.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.943 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.883 0.373 . . . . 73.21 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -123.06 25.25 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 64.4 110.845 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 -34.75 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.2 111.12 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -25.6 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 55.24 110.835 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -26.69 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 71.11 110.873 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.4 -2.71 80.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 33.42 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.87 -23.5 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 43.52 111.117 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.65 49.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.13 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -26.16 64.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.53 111.199 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -121.16 -11.15 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 54.14 110.931 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -91.79 -17.62 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 62.25 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -51.08 -39.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.849 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -150.95 91.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.18 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.7 ptm -156.02 -36.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 53.43 110.846 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 27' ' ' LEU . 1.7 pt? -117.92 -6.33 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 62.14 110.934 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.24 110.904 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.954 0.407 . . . . 65.43 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.84 26.64 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 64.05 110.837 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 25.21 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 63.35 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -152.11 -57.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.61 -33.64 31.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.14 110.871 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -20.09 79.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 51.42 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.07 -47.4 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 71.52 111.07 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -79.1 59.85 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 tp -170.31 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.5 p -76.04 -5.2 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.156 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.66 4.97 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.947 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -98.39 -22.55 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.46 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 p -150.55 90.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.51 111.156 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.3 mmm -149.07 -74.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.01 25.99 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 60.51 110.912 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.914 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 74.12 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.25 27.24 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.857 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.16 -43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.33 111.087 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -34.65 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -54.55 -37.61 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.853 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -19.69 51.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.466 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.19 -42.22 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 64.4 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -79.29 59.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.924 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.93 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.889 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -69.7 -26.7 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.24 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -118.1 -17.09 9.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.911 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -80.48 -29.68 37.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -51.78 -30.15 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.34 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -150.37 86.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.34 111.124 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -73.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.911 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pp -112.71 24.78 12.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.92 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.891 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.3 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.869 0.366 . . . . 73.21 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 26.95 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.838 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.53 25.49 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 60.33 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.29 -52.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -24.32 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.77 66.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 62.43 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.72 -17.66 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 70.03 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -90.02 46.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.38 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.942 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 -22.29 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.03 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 12.8 9.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 73.43 110.972 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -116.12 -26.06 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 74.25 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -51.63 -38.79 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 54.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -134.74 74.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.149 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -70.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.03 110.916 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.92 23.97 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 71.31 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.894 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.895 0.379 . . . . 60.45 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 33.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 65.14 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.0 31.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.31 111.114 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -170.37 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -34.13 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.78 -21.16 62.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 61.34 112.468 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 -44.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 74.22 111.125 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.66 55.41 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.35 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.21 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -90.76 -24.16 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.11 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.76 11.41 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.925 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -116.68 -25.97 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.1 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 25' ' ' THR . 3.1 p80 -51.76 -38.02 53.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 74.41 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' ND1' ' A' ' 24' ' ' HIS . 65.1 p -123.61 61.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.141 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -73.62 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 70.14 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.18 21.5 14.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.881 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.868 0.366 . . . . 74.1 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 26.11 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.4 110.859 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.23 -36.35 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.44 111.079 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -34.16 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -29.91 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.52 57.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 63.11 112.496 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -92.92 -28.79 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 63.53 111.087 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 36.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 61.21 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -155.16 -41.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 p -70.18 -24.6 63.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -126.9 -3.33 6.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.905 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -50.64 -27.68 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -54.19 -28.98 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 64.52 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.5 p -127.37 38.6 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.12 111.151 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -123.69 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 61.24 110.892 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.3 2.64 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 71.53 110.921 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.14 110.924 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.89 0.376 . . . . 73.41 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.56 31.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 62.43 110.889 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.25 -40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.51 111.143 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.46 -27.85 59.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 60.32 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.4 -30.07 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 51.21 110.868 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.3 -19.82 66.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 54.32 112.494 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.28 -49.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.785 0.326 . . . . 54.32 111.114 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -77.35 61.78 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.76 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -73.34 -23.09 60.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.11 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -128.13 -1.05 5.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -54.36 -34.13 60.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.406 ' ND1' HG23 ' A' ' 25' ' ' THR . 9.7 p80 -60.37 -23.65 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 75.03 110.884 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.406 HG23 ' ND1' ' A' ' 24' ' ' HIS . 67.0 p -141.41 63.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.43 111.116 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.34 110.865 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 21.79 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.916 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 62.23 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -118.61 26.21 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 74.33 110.859 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.9 -35.99 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.23 111.049 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -29.4 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.886 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -98.04 -35.33 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.01 -19.56 45.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.758 . . . . 54.5 112.495 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.63 -58.03 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 63.21 111.156 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -77.18 62.74 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.09 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -68.27 -25.36 65.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 53.04 111.181 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -119.92 -10.95 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 70.01 110.905 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -104.77 37.82 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 52.24 110.944 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -120.93 -8.02 9.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.84 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -151.22 36.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.45 111.132 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.3 ptm -127.21 -36.33 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -117.81 -14.12 10.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 75.15 110.921 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.914 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.885 0.374 . . . . 74.15 110.935 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 25.84 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 73.44 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -38.49 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.512 . . . . 73.4 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.41 -33.47 23.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -62.43 -44.55 96.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.66 -32.41 54.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.511 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -78.21 -43.72 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.334 . . . . 61.2 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -86.27 53.94 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.902 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -92.37 -22.21 19.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.62 13.14 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 60.13 110.911 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -113.67 -27.03 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.84 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' ND1' HG23 ' A' ' 25' ' ' THR . 4.9 p80 -51.92 -38.81 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.855 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' ND1' ' A' ' 24' ' ' HIS . 52.4 p -114.14 46.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 64.24 111.19 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.83 -68.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.4 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -1.84 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.939 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 65.14 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -123.07 26.44 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.826 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 -40.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 70.43 111.069 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -81.89 -26.32 34.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.54 110.88 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -26.55 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.895 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.96 -19.7 67.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 74.01 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.45 -47.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.334 . . . . 62.25 111.13 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -77.46 61.1 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.19 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.77 -27.43 61.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.35 111.173 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -126.61 -0.95 6.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.908 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.54 42.09 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 74.03 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.593 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.5 p80 -116.55 -37.99 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.851 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.593 HG23 ' ND1' ' A' ' 24' ' ' HIS . 76.7 p -123.75 55.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 63.41 111.13 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -141.03 -43.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.877 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.23 -1.54 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.858 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 73.11 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -128.39 32.39 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 64.04 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.38 -52.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 71.31 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -34.23 32.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.5 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -65.27 -29.11 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 70.52 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.93 -23.41 71.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 62.15 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.26 -49.19 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 72.35 111.101 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.55 60.95 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 50.4 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.31 110.96 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.68 -22.73 20.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 53.13 111.104 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.58 12.55 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.32 110.894 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.51 -25.65 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.8 -37.9 53.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.8 p -150.59 89.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.45 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -74.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.855 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 24.93 11.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.05 110.899 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.928 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.91 0.386 . . . . 73.42 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.91 26.37 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 64.32 110.866 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.96 -36.02 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 43.44 111.114 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.37 -30.37 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 61.11 110.901 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -79.47 -26.13 41.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 63.3 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.93 19.39 49.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.512 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 t -141.27 -44.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 72.32 111.099 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -83.4 55.69 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -175.41 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.945 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -21.57 21.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.07 12.63 8.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 63.05 110.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -113.23 -25.59 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -51.81 -39.44 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.902 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -150.63 89.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.02 111.147 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mmt -146.44 -74.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.97 24.62 11.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 63.21 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.933 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.7 tttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 75.23 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -106.25 41.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.88 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -77.41 -34.4 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -101.4 76.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.923 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -171.17 -37.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 71.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.76 -25.27 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.108 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -112.06 26.01 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.51 110.866 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.722 HG13 HG12 ' A' ' 9' ' ' ILE . 7.3 p -121.95 -34.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 HG13 ' A' ' 8' ' ' VAL . 45.2 mm -101.08 -25.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 63.24 111.159 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -58.4 -28.26 65.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 74.45 110.919 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 mt -103.76 -26.34 12.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.875 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 74.51 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -120.66 26.59 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.898 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -127.53 -38.76 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.34 111.08 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.15 -35.59 20.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.899 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -53.86 -37.68 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.89 -19.67 59.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 75.52 112.532 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.33 -42.2 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.42 111.179 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -80.58 57.91 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.938 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -175.37 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 63.15 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -90.91 -22.01 21.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.24 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.79 12.5 9.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.952 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -114.42 -25.86 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -51.83 -39.1 58.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 64.33 110.837 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.9 p -150.58 89.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.142 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mmm -146.32 -74.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.5 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -105.18 24.79 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.14 19.11 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.883 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 56.51 24.26 8.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.32 110.888 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.91 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 72.14 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp 55.6 56.01 6.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.898 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -69.97 -52.13 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.23 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.65 52.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.899 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -146.05 -42.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 61.52 111.125 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.05 -25.07 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.128 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttm -108.93 25.94 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.718 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -120.31 -33.38 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.42 111.175 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG13 HG13 ' A' ' 8' ' ' VAL . 62.0 mt -102.79 -25.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.128 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.75 -42.8 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.895 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.2 mt -85.62 -26.08 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 64.31 110.952 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.2 -29.93 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 54.31 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 26.47 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.851 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -123.93 -36.05 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.118 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -87.02 -39.03 16.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 61.01 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -32.78 17.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 53.12 110.835 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -22.56 60.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 62.14 112.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.59 -38.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 52.45 111.114 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -81.01 57.53 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 tp -175.37 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 -21.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.122 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.39 12.61 8.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.92 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -113.15 -25.49 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 64.44 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -51.89 -39.46 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.82 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -150.62 89.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 64.3 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.3 mmm -146.65 -74.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.857 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.19 24.37 10.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 75.5 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -114.61 18.93 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 24.45 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 53.21 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.04 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.879 0.371 . . . . 75.11 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.0 80.11 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.82 150.35 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.873 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 61.71 26.22 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 65.12 110.913 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.58 -50.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 70.3 111.105 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.09 23.79 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 53.44 111.075 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.42 21.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.852 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.701 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.53 -35.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 75.12 111.117 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.701 HG13 HG13 ' A' ' 8' ' ' VAL . 33.1 mt -94.38 -25.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 62.42 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.577 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.3 m-90 -59.54 -27.0 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.91 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.96 -29.08 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.52 28.1 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 61.1 110.939 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.48 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 61.32 110.858 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 10' ' ' TRP . . . -160.86 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 63.1 111.067 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -88.95 -30.11 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.05 110.917 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.44 -35.14 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.23 110.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.78 -20.03 67.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 53.02 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.68 -45.52 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 71.12 111.163 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.37 59.86 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.897 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 HG23 ' A' ' 21' ' ' THR . 0.4 OUTLIER -179.23 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.31 110.905 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 20' ' ' LEU . 25.6 p -91.99 -22.42 19.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.15 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.99 13.11 9.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.929 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.61 -26.2 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 71.55 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -51.78 -38.65 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.54 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -150.62 89.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.41 111.15 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmt -146.06 -74.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 62.45 110.828 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 24.75 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.895 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.61 19.17 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.909 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp 56.68 24.08 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.921 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.888 0.375 . . . . 70.22 110.914 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 52.87 72.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.922 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -108.66 26.3 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 63.01 110.872 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -153.93 27.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.1 t -146.1 -50.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.01 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.04 23.71 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 54.12 111.105 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -150.29 21.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.701 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.48 -35.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.133 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.701 HG13 HG13 ' A' ' 8' ' ' VAL . 61.9 mt -93.37 -25.12 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -58.38 -25.72 62.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.4 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.87 -34.52 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 62.32 110.928 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.916 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -117.75 26.2 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 62.11 110.871 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.44 -34.81 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.12 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -42.96 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HE ' HD13 ' A' ' 20' ' ' LEU . 11.9 tpt180 -58.93 -33.71 70.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -33.67 38.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 63.31 112.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.66 -46.46 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 74.15 111.129 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.08 53.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.907 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 HD13 ' HE ' ' A' ' 16' ' ' ARG . 3.2 tp -175.33 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.896 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -91.42 -22.9 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.118 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.09 12.66 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -116.11 -26.43 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 65.24 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.89 -38.47 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -150.64 89.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.104 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.8 mmm -146.23 -74.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.878 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.46 24.77 11.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.35 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -114.01 19.47 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 62.04 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mttt 56.42 24.19 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 64.14 110.906 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.477 ' N ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 51.31 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 171.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.4 110.888 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -56.02 -32.15 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.893 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -106.95 38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.89 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.26 -52.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.157 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' HB2' ' N ' ' A' ' 1' ' ' LYS . . . -95.04 23.77 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 71.24 111.1 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mtt -150.4 20.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 53.12 110.865 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.63 -35.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 71.23 111.104 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.732 HG13 HG13 ' A' ' 8' ' ' VAL . 40.1 mt -96.06 -25.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 52.21 111.111 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -64.59 -26.04 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.45 -25.79 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 62.23 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -95.96 26.05 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -160.87 26.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 30.42 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -43.22 2.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 65.45 111.142 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.64 -25.78 14.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.5 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -56.76 -27.36 59.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.863 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.63 -4.18 74.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.459 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.31 -23.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 70.41 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.7 46.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.97 -41.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 61.02 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.16 -24.37 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 60.35 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -123.85 -3.21 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.894 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.23 -26.07 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.77 -31.79 28.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 75.14 110.839 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -150.6 87.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.127 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmm -139.38 -73.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.898 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -1.47 55.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.09 18.76 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.45 110.919 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.88 24.93 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 70.3 110.909 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.947 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 tttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 71.23 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -129.53 114.58 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 60.11 110.905 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.62 139.74 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 54.45 110.878 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.66 25.83 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.954 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.0 t -143.92 -54.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 71.05 111.141 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.92 23.58 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.31 111.116 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtp -150.49 20.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.58 -35.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.45 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.688 HG13 HG13 ' A' ' 8' ' ' VAL . 60.0 mt -90.51 -25.79 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 54.41 111.145 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -64.67 -61.71 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.942 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -26.85 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -28.45 33.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.929 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 26.55 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.24 25.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.17 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.46 -42.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -34.87 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.34 -20.49 61.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 61.11 112.469 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.97 -56.07 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.34 111.151 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.03 61.09 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.954 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -170.75 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.93 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -75.94 -5.26 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 50.54 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -131.4 4.72 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.956 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.33 -22.5 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 51.03 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.48 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.91 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -150.6 90.79 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 45.53 111.148 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.6 mmt -149.01 -74.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.854 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -104.26 25.98 9.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 71.03 110.889 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.91 18.89 15.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.867 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? 56.13 24.61 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.94 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.893 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 pttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 70.43 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -95.1 77.67 3.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.53 110.882 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -100.65 27.81 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.92 28.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.924 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -144.13 -42.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.141 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.51 -25.13 15.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.24 111.161 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttt -107.83 25.93 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.844 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 9' ' ' ILE . 7.1 p -121.1 -33.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 71.33 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.749 HG13 HG13 ' A' ' 8' ' ' VAL . 58.8 mt -102.78 -25.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.04 111.121 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -59.06 -32.33 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.869 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mt -99.14 -26.07 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -65.27 -26.27 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.955 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 26.51 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 61.53 110.854 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.86 -36.83 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.15 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -26.4 19.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.45 110.908 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.37 -37.98 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.873 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.37 -21.09 47.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 42.34 112.451 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.41 -51.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 73.42 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.29 61.82 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.898 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.56 -3.54 41.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.123 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -129.51 -32.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -50.05 -32.83 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 41.44 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.3 p80 -53.54 -36.66 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.895 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.568 HG23 ' ND1' ' A' ' 24' ' ' HIS . 73.1 p -137.05 80.35 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.101 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -75.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.903 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.13 3.68 54.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -94.46 19.86 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.938 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.42 24.21 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.25 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 64.2 110.885 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.9 mttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.887 0.375 . . . . 74.15 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.02 -171.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 71.02 110.896 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -54.14 -27.78 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -99.26 31.26 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 64.35 110.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.5 t -144.89 -51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.34 111.122 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.95 23.79 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.43 21.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.905 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.705 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.59 -35.9 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.04 111.171 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.705 HG13 HG13 ' A' ' 8' ' ' VAL . 32.7 mt -94.68 -25.32 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 53.13 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -106.96 -25.96 11.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 60.23 110.907 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -55.81 -25.76 43.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.54 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.86 26.56 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.878 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -130.26 -51.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 50.23 111.096 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.15 -32.63 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -55.35 -27.33 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.26 -19.73 77.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 70.11 112.476 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.58 -46.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.727 0.298 . . . . 73.24 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -77.32 61.61 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.9 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -43.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 70.12 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -3.35 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -129.78 -32.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 53.41 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.91 -32.69 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -52.76 -38.79 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -150.93 88.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.42 111.165 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -153.91 -41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.907 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -102.5 -12.01 18.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -93.22 18.53 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.943 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm 56.46 24.54 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 62.15 110.905 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 51.22 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -125.91 85.56 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.925 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -107.81 -28.02 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 75.03 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.26 33.76 4.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.951 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.0 t -146.07 -54.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 70.13 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.94 23.8 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.44 111.091 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 ttp -150.63 20.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.826 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.712 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.64 -35.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.31 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.712 HG13 HG13 ' A' ' 8' ' ' VAL . 52.5 mt -94.46 -25.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.24 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -64.13 -25.93 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 73.02 110.895 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -106.84 -25.74 11.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.893 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -55.7 -25.96 42.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -123.06 25.25 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 64.4 110.845 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -122.13 -34.75 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.2 111.12 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -25.6 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 55.24 110.835 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -26.69 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 71.11 110.873 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.4 -2.71 80.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 33.42 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.87 -23.5 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 43.52 111.117 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.65 49.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.13 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -26.16 64.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.53 111.199 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -121.16 -11.15 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 54.14 110.931 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -91.79 -17.62 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 62.25 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -51.08 -39.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.849 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -150.95 91.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.18 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.7 ptm -156.02 -36.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 53.43 110.846 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 27' ' ' LEU . 1.7 pt? -117.92 -6.33 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 62.14 110.934 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -94.44 20.1 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.24 110.904 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 56.2 24.53 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.897 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.907 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.8 mttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 74.03 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' HD2' ' HB2' ' A' ' 6' ' ' ALA . 6.2 mttt -53.06 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.851 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -75.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -97.31 40.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.924 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -147.79 -42.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HB2' ' HD2' ' A' ' 2' ' ' LYS . . . -98.49 -24.93 14.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 61.51 111.084 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.2 mtp -108.55 25.76 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 60.22 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG13 HG13 ' A' ' 9' ' ' ILE . 7.2 p -120.88 -33.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.135 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG13 HG13 ' A' ' 8' ' ' VAL . 76.1 mt -102.69 -25.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.076 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -60.76 -41.86 96.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.921 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.45 -26.26 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 71.25 110.925 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -53.79 -28.37 34.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 65.43 110.955 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.84 26.64 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 64.05 110.837 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 25.21 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 63.35 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -152.11 -57.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.61 -33.64 31.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.14 110.871 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -20.09 79.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 51.42 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.07 -47.4 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 71.52 111.07 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -79.1 59.85 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 tp -170.31 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.5 p -76.04 -5.2 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.156 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.66 4.97 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.947 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -98.39 -22.55 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.46 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 p -150.55 90.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.51 111.156 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.3 mmm -149.07 -74.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.01 25.99 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 60.51 110.912 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -115.91 18.99 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.16 24.55 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 73.22 110.883 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 74.43 110.918 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 72.31 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 94.15 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.899 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -124.46 -36.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 65.12 110.848 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -95.75 34.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.889 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -145.31 -50.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.107 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.115 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.33 21.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.57 -35.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.15 111.13 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.709 HG13 HG13 ' A' ' 8' ' ' VAL . 34.0 mt -94.78 -25.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 61.31 111.135 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -60.98 -26.04 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.948 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 2.4 mt -107.15 -26.88 10.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -53.36 -28.99 31.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.25 27.24 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.857 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -130.16 -43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.33 111.087 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -34.65 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -54.55 -37.61 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.853 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -19.69 51.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.466 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.19 -42.22 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 64.4 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -79.29 59.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.924 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.93 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.889 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -69.7 -26.7 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.24 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -118.1 -17.09 9.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.911 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -80.48 -29.68 37.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -51.78 -30.15 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.34 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -150.37 86.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.34 111.124 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -73.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.911 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pp -112.71 24.78 12.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.92 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -114.84 22.03 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.75 20.07 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 71.03 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.923 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.843 0.354 . . . . 74.02 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -137.1 32.41 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 55.14 110.962 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -83.65 -26.86 29.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.844 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -104.33 37.09 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.04 110.906 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -146.81 -49.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 75.03 111.144 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.97 23.65 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.43 111.138 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.7 mtp -150.22 21.17 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.865 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.52 -35.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.42 111.114 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.656 HG13 HG13 ' A' ' 8' ' ' VAL . 28.3 mt -92.41 -25.8 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.05 111.093 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.57 -58.12 9.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.58 68.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 64.33 110.926 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -55.34 -26.55 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.881 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 26.95 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.838 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.53 25.49 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 60.33 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.29 -52.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -24.32 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.77 66.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 62.43 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.72 -17.66 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 70.03 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -90.02 46.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.38 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.942 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 -22.29 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.03 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 12.8 9.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 73.43 110.972 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -116.12 -26.06 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 74.25 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -51.63 -38.79 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 54.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 30' ' ' LYS . 68.7 p -134.74 74.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.149 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -70.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.03 110.916 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.92 23.97 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 71.31 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -114.94 20.96 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.88 20.57 11.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.892 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.22 110.883 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.7 tttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.854 0.359 . . . . 54.5 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt 55.78 62.91 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.946 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.86 -30.25 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.908 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -99.25 28.65 4.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.939 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.5 t -146.34 -50.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 71.1 111.138 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 23.7 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 60.21 111.113 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 21.14 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 61.05 110.877 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.694 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.5 -35.81 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 55.22 111.122 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.694 HG13 HG13 ' A' ' 8' ' ' VAL . 32.8 mt -93.98 -26.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.4 111.158 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.712 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 m-90 -60.12 -33.81 72.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.1 110.909 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mt -99.35 -26.64 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 70.15 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -96.11 26.32 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 60.45 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 33.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 65.14 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 10' ' ' TRP . . . -174.0 31.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.31 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -170.37 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -34.13 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.78 -21.16 62.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 61.34 112.468 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 -44.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 74.22 111.125 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.66 55.41 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.35 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.21 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -90.76 -24.16 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.11 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.76 11.41 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.925 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -116.68 -25.97 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.1 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 25' ' ' THR . 3.1 p80 -51.76 -38.02 53.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 74.41 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' ND1' ' A' ' 24' ' ' HIS . 65.1 p -123.61 61.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.141 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -73.62 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 70.14 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.18 21.5 14.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -113.52 21.8 14.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.881 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 62.06 20.17 11.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 73.14 110.837 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 60.22 110.906 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.877 0.37 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 -173.24 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 63.34 110.854 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 64.45 18.18 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.43 23.4 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.909 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -144.29 -41.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.23 111.161 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.39 22.07 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 51.23 111.093 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.6 mmt -150.5 19.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.677 HG13 HG12 ' A' ' 9' ' ' ILE . 7.5 p -124.92 -35.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 64.21 111.133 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.677 HG12 HG13 ' A' ' 8' ' ' VAL . 39.3 mm -96.65 -24.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 70.54 111.114 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 1.2 m-90 -61.05 -25.61 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -37.24 6.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 61.21 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.67 -24.35 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.884 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 26.11 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.4 110.859 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -124.23 -36.35 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.44 111.079 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -34.16 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -29.91 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.52 57.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 63.11 112.496 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -92.92 -28.79 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 63.53 111.087 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 36.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 61.21 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -155.16 -41.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 p -70.18 -24.6 63.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -126.9 -3.33 6.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.905 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -50.64 -27.68 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -54.19 -28.98 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 64.52 110.827 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.5 p -127.37 38.6 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.12 111.151 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -123.69 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 61.24 110.892 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.3 2.64 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 71.53 110.921 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -94.13 20.42 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.14 110.924 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 57.73 22.81 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.903 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.919 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.9 tttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 71.45 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.54 91.8 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.921 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -102.5 149.7 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 65.1 110.832 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 58.46 26.24 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.921 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.94 -50.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 64.02 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 23.69 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.13 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.27 21.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG13 HG12 ' A' ' 9' ' ' ILE . 7.6 p -124.48 -35.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 64.21 111.115 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.636 HG12 HG13 ' A' ' 8' ' ' VAL . 38.6 mm -94.56 -27.27 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.118 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.667 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.3 m-90 -60.45 -29.45 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 64.54 110.905 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.69 -29.37 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -97.55 26.52 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.56 31.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 62.43 110.889 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 10' ' ' TRP . . . -161.25 -40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.51 111.143 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.46 -27.85 59.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 60.32 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.4 -30.07 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 51.21 110.868 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.3 -19.82 66.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 54.32 112.494 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.28 -49.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.785 0.326 . . . . 54.32 111.114 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -77.35 61.78 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.76 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -73.34 -23.09 60.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.11 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -128.13 -1.05 5.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -54.36 -34.13 60.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' ND1' HG23 ' A' ' 25' ' ' THR . 9.7 p80 -60.37 -23.65 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 75.03 110.884 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.406 HG23 ' ND1' ' A' ' 24' ' ' HIS . 67.0 p -141.41 63.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.43 111.116 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.34 110.865 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 21.79 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -113.19 21.62 15.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.916 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mttp 61.7 20.66 11.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 55.42 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.874 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 11.0 pttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.888 0.375 . . . . 73.32 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -136.06 -174.47 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.887 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 75.01 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.48 47.8 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.964 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.5 t -149.0 -42.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 75.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 1' ' ' LYS . . . -97.95 -25.24 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 45.12 111.077 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttt -108.25 26.03 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 71.44 110.83 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.733 HG13 HG13 ' A' ' 9' ' ' ILE . 7.1 p -121.17 -33.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 70.5 111.18 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.733 HG13 HG13 ' A' ' 8' ' ' VAL . 62.2 mt -102.54 -25.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.14 111.138 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -59.2 -25.95 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -107.91 -32.65 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.928 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.18 -25.76 68.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -118.61 26.21 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 74.33 110.859 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.9 -35.99 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.23 111.049 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -29.4 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.886 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -98.04 -35.33 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.01 -19.56 45.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.758 . . . . 54.5 112.495 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.63 -58.03 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 63.21 111.156 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -77.18 62.74 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.09 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -68.27 -25.36 65.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 53.04 111.181 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -119.92 -10.95 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 70.01 110.905 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -104.77 37.82 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 52.24 110.944 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -120.93 -8.02 9.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.84 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -151.22 36.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.45 111.132 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.3 ptm -127.21 -36.33 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -117.81 -14.12 10.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 75.15 110.921 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.2 18.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 3.1 mttp 63.37 21.29 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.894 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 62.33 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 61.52 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -135.26 89.18 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -80.06 144.05 33.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.45 110.863 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 63.08 36.07 12.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.901 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.3 t -145.0 -69.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 51.51 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.04 -5.3 53.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.092 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -115.11 25.7 10.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.882 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.17 -60.76 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 64.41 111.168 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 9' ' ' ILE . 14.9 mt -81.23 -4.19 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 50.34 111.153 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -95.4 -20.21 19.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.9 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -127.2 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -25.08 47.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.935 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 25.84 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 73.44 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -38.49 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.512 . . . . 73.4 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.41 -33.47 23.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -62.43 -44.55 96.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.66 -32.41 54.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.511 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -78.21 -43.72 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.334 . . . . 61.2 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -86.27 53.94 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.902 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -92.37 -22.21 19.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.62 13.14 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 60.13 110.911 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -113.67 -27.03 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.84 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' ND1' HG23 ' A' ' 25' ' ' THR . 4.9 p80 -51.92 -38.81 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.855 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' ND1' ' A' ' 24' ' ' HIS . 52.4 p -114.14 46.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 64.24 111.19 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.83 -68.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.4 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -1.84 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -94.41 19.85 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.939 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' LYS . 17.4 mttt 62.8 20.86 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.3 110.899 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.921 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 71.12 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.728 ' CD ' ' HB2' ' A' ' 6' ' ' ALA . 57.8 mttt -118.07 -80.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.901 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.18 -81.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.854 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -93.67 68.25 3.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 74.4 110.935 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -177.46 -33.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 42.34 111.129 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.728 ' HB2' ' CD ' ' A' ' 2' ' ' LYS . . . -96.11 -25.18 15.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 71.31 111.047 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ttt -110.95 24.79 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 53.52 110.891 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.684 HG13 HG12 ' A' ' 9' ' ' ILE . 7.7 p -124.66 -35.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 41.43 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.684 HG12 HG13 ' A' ' 8' ' ' VAL . 30.5 mm -97.87 -25.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 64.32 111.102 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.84 -50.88 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.916 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.82 -25.95 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.911 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -55.41 -26.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.924 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -123.07 26.44 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.826 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -132.43 -40.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 70.43 111.069 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -81.89 -26.32 34.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.54 110.88 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -26.55 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.895 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.96 -19.7 67.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 74.01 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.45 -47.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.334 . . . . 62.25 111.13 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -77.46 61.1 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.19 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.77 -27.43 61.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.35 111.173 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -126.61 -0.95 6.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.908 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.54 42.09 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 74.03 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.593 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.5 p80 -116.55 -37.99 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.851 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 HG23 ' ND1' ' A' ' 24' ' ' HIS . 76.7 p -123.75 55.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 63.41 111.13 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -141.03 -43.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.877 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.23 -1.54 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -94.36 20.21 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.858 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.46 23.47 9.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.889 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.886 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 mttt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.871 0.367 . . . . 71.1 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.01 173.32 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.924 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -66.04 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.879 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.91 43.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.91 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.44 -58.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 53.43 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.89 -17.77 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 34.41 111.077 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.96 23.13 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.16 -41.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 74.53 111.105 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG23 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -96.89 19.58 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 75.44 111.109 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.448 ' CE3' HG23 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -96.45 -36.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.879 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.74 -26.15 11.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 63.51 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -56.6 -26.44 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.891 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -128.39 32.39 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 64.04 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.38 -52.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 71.31 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -34.23 32.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.5 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -65.27 -29.11 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 70.52 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.93 -23.41 71.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 62.15 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.26 -49.19 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 72.35 111.101 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.55 60.95 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 50.4 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.31 110.96 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.68 -22.73 20.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 53.13 111.104 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.58 12.55 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.32 110.894 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.51 -25.65 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.8 -37.9 53.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.8 p -150.59 89.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.45 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -74.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.855 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 24.93 11.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.05 110.899 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.99 19.14 16.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.928 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt 56.72 24.01 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.899 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.916 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.78 0.324 . . . . 61.23 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.0 tptp 54.75 72.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.927 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -51.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.871 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -94.41 48.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.93 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -141.8 -57.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.24 111.123 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.81 -17.71 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 60.22 111.128 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.9 23.1 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.857 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.19 -41.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.05 111.11 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.446 HG23 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -96.97 19.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 63.14 111.147 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' CE3' HG23 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -96.47 -36.67 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.961 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.18 -27.33 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.16 -26.42 62.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.915 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.91 26.37 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 64.32 110.866 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.96 -36.02 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 43.44 111.114 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.37 -30.37 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 61.11 110.901 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -79.47 -26.13 41.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 63.3 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.93 19.39 49.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.512 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 t -141.27 -44.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 72.32 111.099 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -83.4 55.69 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -175.41 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.945 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -21.57 21.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.07 12.63 8.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 63.05 110.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -113.23 -25.59 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -51.81 -39.44 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.902 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -150.63 89.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.02 111.147 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mmt -146.44 -74.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.97 24.62 11.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 63.21 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.56 19.05 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.933 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 56.44 24.3 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 72.52 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.87 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.904 0.383 . . . . 74.510000000000005 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -120.66 26.59 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.329999999999998 110.898 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.53 -38.76 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.340000000000003 111.08 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.15 -35.59 20.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 110.899 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -53.86 -37.68 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.329999999999998 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.89 -19.67 59.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 75.519999999999996 112.532 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.33 -42.2 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.420000000000002 111.179 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -80.58 57.91 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.938 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -175.37 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 63.149999999999999 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -90.91 -22.01 21.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.79 12.5 9.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.952 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -114.42 -25.86 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -51.83 -39.1 58.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 64.329999999999998 110.837 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.9 p -150.58 89.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.142 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mmm -146.32 -74.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.5 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -105.18 24.79 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.883 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.901 0.381 . . . . 54.310000000000002 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 26.47 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.851 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -36.05 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -87.02 -39.03 16.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 61.009999999999998 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -32.78 17.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 53.119999999999997 110.835 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -22.56 60.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 62.140000000000001 112.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.59 -38.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 52.450000000000003 111.114 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -81.01 57.53 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 tp -175.37 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 -21.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 111.122 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.39 12.61 8.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.92 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -113.15 -25.49 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 64.439999999999998 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -51.89 -39.46 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.82 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -150.62 89.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 64.299999999999997 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.3 mmm -146.65 -74.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.857 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.19 24.37 10.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 75.5 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.888 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.881 0.372 . . . . 61.100000000000001 110.939 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.48 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 61.32 110.858 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.86 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 63.100000000000001 111.067 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -88.95 -30.11 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.049999999999997 110.917 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.44 -35.14 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.230000000000004 110.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.78 -20.03 67.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 53.020000000000003 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.68 -45.52 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 71.120000000000005 111.163 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.37 59.86 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.299999999999997 110.897 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 HG23 ' A' ' 21' ' ' THR . 0.4 OUTLIER -179.23 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.310000000000002 110.905 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 20' ' ' LEU . 25.6 p -91.99 -22.42 19.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.15 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.99 13.11 9.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.929 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.61 -26.2 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 71.549999999999997 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -51.78 -38.65 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.540000000000006 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -150.62 89.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.409999999999997 111.15 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmt -146.06 -74.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 62.450000000000003 110.828 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 24.75 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.895 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.109999999999999 110.909 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.873 0.368 . . . . 64.239999999999995 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -117.75 26.2 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 110.871 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.44 -34.81 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.420000000000002 111.12 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -42.96 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HE ' HD13 ' A' ' 20' ' ' LEU . 11.9 tpt180 -58.93 -33.71 70.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -33.67 38.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 63.310000000000002 112.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.66 -46.46 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 74.150000000000006 111.129 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.08 53.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.907 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.41 HD13 ' HE ' ' A' ' 16' ' ' ARG . 3.2 tp -175.33 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.310000000000002 110.896 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -91.42 -22.9 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 111.118 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.09 12.66 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 75.040000000000006 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -116.11 -26.43 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 65.239999999999995 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.89 -38.47 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -150.64 89.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 70.540000000000006 111.104 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.8 mmm -146.23 -74.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.878 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.46 24.77 11.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.349999999999994 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 62.039999999999999 110.939 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.916 0.389 . . . . 71.400000000000006 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -160.87 26.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 30.420000000000002 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -43.22 2.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 65.450000000000003 111.142 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.64 -25.78 14.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.5 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -56.76 -27.36 59.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 62.340000000000003 110.863 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.63 -4.18 74.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 74.209999999999994 112.459 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.31 -23.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 70.409999999999997 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.7 46.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.97 -41.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 61.020000000000003 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.16 -24.37 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 60.350000000000001 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -123.85 -3.21 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.540000000000006 110.894 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.23 -26.07 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 74.420000000000002 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.77 -31.79 28.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 75.140000000000001 110.839 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -150.6 87.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 111.127 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmm -139.38 -73.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 61.130000000000003 110.898 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -1.47 55.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.540000000000006 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.450000000000003 110.919 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.897 0.38 . . . . 72.140000000000001 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 26.55 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.319999999999993 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.24 25.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 111.17 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.46 -42.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.329999999999998 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -34.87 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.409999999999997 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.34 -20.49 61.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 61.109999999999999 112.469 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.97 -56.07 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.340000000000003 111.151 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.03 61.09 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.310000000000002 110.954 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -170.75 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 71.420000000000002 110.93 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -75.94 -5.26 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 50.539999999999999 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -131.4 4.72 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.439999999999998 110.956 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.33 -22.5 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 51.030000000000001 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.48 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.91 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -150.6 90.79 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 45.530000000000001 111.148 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.6 mmt -149.01 -74.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.854 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -104.26 25.98 9.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 71.030000000000001 110.889 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 72.239999999999995 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.931 0.396 . . . . 73.450000000000003 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 26.51 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 61.530000000000001 110.854 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.86 -36.83 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.149999999999999 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -26.4 19.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.450000000000003 110.908 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.37 -37.98 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.873 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.37 -21.09 47.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 42.340000000000003 112.451 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.41 -51.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 73.420000000000002 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.29 61.82 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.200000000000003 110.898 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.56 -3.54 41.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 62.420000000000002 111.123 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -129.51 -32.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 73.540000000000006 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -50.05 -32.83 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 41.439999999999998 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.3 p80 -53.54 -36.66 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.895 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.568 HG23 ' ND1' ' A' ' 24' ' ' HIS . 73.1 p -137.05 80.35 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 111.101 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -75.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.903 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.13 3.68 54.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.938 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.858 0.361 . . . . 63.539999999999999 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.86 26.56 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 73.230000000000004 110.878 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.26 -51.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 50.229999999999997 111.096 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.15 -32.63 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -55.35 -27.33 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.319999999999993 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.26 -19.73 77.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 70.109999999999999 112.476 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.58 -46.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.727 0.298 . . . . 73.239999999999995 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -77.32 61.61 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 110.9 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -43.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 70.120000000000005 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -3.35 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -129.78 -32.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 53.409999999999997 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.91 -32.69 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -52.76 -38.79 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 73.219999999999999 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -150.93 88.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 111.165 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -153.91 -41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.510000000000005 110.907 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -102.5 -12.01 18.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.943 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.883 0.373 . . . . 73.209999999999994 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -123.06 25.25 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 64.400000000000006 110.845 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 -34.75 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.200000000000003 111.12 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -25.6 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 55.240000000000002 110.835 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -26.69 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 71.109999999999999 110.873 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.4 -2.71 80.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 33.420000000000002 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.87 -23.5 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 43.520000000000003 111.117 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.65 49.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.130000000000003 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.430000000000007 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -26.16 64.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.530000000000001 111.199 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -121.16 -11.15 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 54.140000000000001 110.931 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -91.79 -17.62 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 62.25 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.08 -39.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.319999999999993 110.849 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -150.95 91.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.540000000000006 111.18 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.7 ptm -156.02 -36.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 53.43 110.846 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.7 pt? -117.92 -6.33 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 62.140000000000001 110.934 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.239999999999995 110.904 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.954 0.407 . . . . 65.430000000000007 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.84 26.64 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 64.049999999999997 110.837 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 25.21 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 63.350000000000001 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -152.11 -57.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.120000000000005 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.61 -33.64 31.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.140000000000001 110.871 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -20.09 79.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 51.420000000000002 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.07 -47.4 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 71.519999999999996 111.07 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -79.1 59.85 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 tp -170.31 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.439999999999998 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.5 p -76.04 -5.2 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.156 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.66 4.97 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.947 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -98.39 -22.55 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 72.230000000000004 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.46 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.120000000000005 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 p -150.55 90.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.510000000000005 111.156 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.3 mmm -149.07 -74.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.549999999999997 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.01 25.99 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 60.509999999999998 110.912 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 72.150000000000006 110.914 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 74.120000000000005 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.25 27.24 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.109999999999999 110.857 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.16 -43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 111.087 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -34.65 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -54.55 -37.61 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.420000000000002 110.853 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -19.69 51.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.466 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.19 -42.22 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 64.400000000000006 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -79.29 59.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.924 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.93 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 110.889 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -69.7 -26.7 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.239999999999995 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -118.1 -17.09 9.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.911 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -80.48 -29.68 37.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.200000000000003 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -51.78 -30.15 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.340000000000003 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -150.37 86.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.340000000000003 111.124 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -73.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.140000000000001 110.911 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pp -112.71 24.78 12.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.92 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.891 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.3 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.869 0.366 . . . . 73.209999999999994 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 26.95 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 65.340000000000003 110.838 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.53 25.49 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 60.329999999999998 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.29 -52.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -24.32 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.77 66.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 62.43 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.72 -17.66 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 70.030000000000001 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -90.02 46.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.549999999999997 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.38 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.942 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 -22.29 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.030000000000001 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 12.8 9.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 73.430000000000007 110.972 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -116.12 -26.06 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 74.25 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -51.63 -38.79 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 54.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -134.74 74.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 111.149 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -70.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.030000000000001 110.916 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.92 23.97 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 71.310000000000002 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 64.219999999999999 110.894 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.895 0.379 . . . . 60.450000000000003 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 33.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 65.140000000000001 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.0 31.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.114 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -170.37 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.329999999999998 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -34.13 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.230000000000004 110.88 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.78 -21.16 62.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 61.340000000000003 112.468 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 -44.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 74.219999999999999 111.125 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.66 55.41 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.350000000000001 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.21 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -90.76 -24.16 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.109999999999999 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.76 11.41 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.925 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -116.68 -25.97 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.099999999999994 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 25' ' ' THR . 3.1 p80 -51.76 -38.02 53.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 74.409999999999997 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' ND1' ' A' ' 24' ' ' HIS . 65.1 p -123.61 61.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 111.141 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -73.62 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 70.140000000000001 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.18 21.5 14.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.340000000000003 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.510000000000005 110.881 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.868 0.366 . . . . 74.099999999999994 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 26.11 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.859 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.23 -36.35 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.079 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -34.16 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -29.91 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.109999999999999 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.52 57.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.496 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -92.92 -28.79 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 63.530000000000001 111.087 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 36.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 61.210000000000001 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -155.16 -41.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 p -70.18 -24.6 63.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -126.9 -3.33 6.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 110.905 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -50.64 -27.68 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.510000000000005 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 29.5 m-70 -54.19 -28.98 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 64.519999999999996 110.827 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.5 p -127.37 38.6 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.120000000000005 111.151 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -123.69 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 61.240000000000002 110.892 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.3 2.64 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 110.921 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.140000000000001 110.924 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.89 0.376 . . . . 73.409999999999997 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.56 31.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 62.43 110.889 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.25 -40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.510000000000005 111.143 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.46 -27.85 59.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 60.32 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.4 -30.07 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 51.210000000000001 110.868 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.3 -19.82 66.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 54.32 112.494 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.28 -49.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.785 0.326 . . . . 54.32 111.114 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -77.35 61.78 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.76 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -73.34 -23.09 60.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -128.13 -1.05 5.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.540000000000006 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -54.36 -34.13 60.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.406 ' ND1' HG23 ' A' ' 25' ' ' THR . 9.7 p80 -60.37 -23.65 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 75.030000000000001 110.884 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.406 HG23 ' ND1' ' A' ' 24' ' ' HIS . 67.0 p -141.41 63.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.43 111.116 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.340000000000003 110.865 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 21.79 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 110.916 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 62.229999999999997 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -118.61 26.21 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 74.329999999999998 110.859 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.9 -35.99 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.229999999999997 111.049 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -29.4 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.886 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -98.04 -35.33 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.049999999999997 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.01 -19.56 45.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.758 . . . . 54.5 112.495 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.63 -58.03 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 63.210000000000001 111.156 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -77.18 62.74 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.906 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.09 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -68.27 -25.36 65.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 53.039999999999999 111.181 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -119.92 -10.95 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 70.010000000000005 110.905 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -104.77 37.82 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 52.240000000000002 110.944 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -120.93 -8.02 9.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.84 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -151.22 36.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.450000000000003 111.132 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.3 ptm -127.21 -36.33 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.439999999999998 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -117.81 -14.12 10.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 75.150000000000006 110.921 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.914 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.885 0.374 . . . . 74.150000000000006 110.935 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 25.84 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 73.439999999999998 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -38.49 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.512 . . . . 73.400000000000006 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.41 -33.47 23.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -62.43 -44.55 96.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.349999999999994 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.66 -32.41 54.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 61.520000000000003 112.511 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -78.21 -43.72 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.334 . . . . 61.200000000000003 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -86.27 53.94 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.120000000000005 110.902 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -92.37 -22.21 19.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.62 13.14 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 60.130000000000003 110.911 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -113.67 -27.03 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.109999999999999 110.84 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' ND1' HG23 ' A' ' 25' ' ' THR . 4.9 p80 -51.92 -38.81 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.310000000000002 110.855 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' ND1' ' A' ' 24' ' ' HIS . 52.4 p -114.14 46.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 64.239999999999995 111.19 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.83 -68.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -1.84 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.340000000000003 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.939 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 65.140000000000001 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -123.07 26.44 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.826 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 -40.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 70.430000000000007 111.069 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -81.89 -26.32 34.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.539999999999999 110.88 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -26.55 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 110.895 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.96 -19.7 67.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 74.010000000000005 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.45 -47.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.334 . . . . 62.25 111.13 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -77.46 61.1 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.19 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.430000000000007 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.77 -27.43 61.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.349999999999994 111.173 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -126.61 -0.95 6.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.150000000000006 110.908 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.54 42.09 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 74.030000000000001 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.593 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.5 p80 -116.55 -37.99 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 110.851 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.593 HG23 ' ND1' ' A' ' 24' ' ' HIS . 76.7 p -123.75 55.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 63.409999999999997 111.13 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -141.03 -43.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.049999999999997 110.877 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.23 -1.54 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.858 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 73.109999999999999 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -128.39 32.39 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 64.040000000000006 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.38 -52.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -34.23 32.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.5 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -65.27 -29.11 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 70.519999999999996 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.93 -23.41 71.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 62.149999999999999 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.26 -49.19 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 72.349999999999994 111.101 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.55 60.95 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 50.399999999999999 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 110.96 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.68 -22.73 20.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 53.130000000000003 111.104 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.58 12.55 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.32 110.894 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.51 -25.65 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.8 -37.9 53.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.409999999999997 110.858 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.8 p -150.59 89.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.450000000000003 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -74.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 110.855 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 24.93 11.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.049999999999997 110.899 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 110.928 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.91 0.386 . . . . 73.420000000000002 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.91 26.37 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 64.319999999999993 110.866 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.96 -36.02 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 43.439999999999998 111.114 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.37 -30.37 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 61.109999999999999 110.901 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -79.47 -26.13 41.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 63.299999999999997 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.93 19.39 49.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 70.530000000000001 112.512 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 t -141.27 -44.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 72.319999999999993 111.099 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -83.4 55.69 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -175.41 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.945 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -21.57 21.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.07 12.63 8.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 63.049999999999997 110.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -113.23 -25.59 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -51.81 -39.44 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.902 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -150.63 89.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.019999999999996 111.147 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mmt -146.44 -74.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 64.040000000000006 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.97 24.62 11.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 63.210000000000001 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 110.933 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.7 tttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 75.230000000000004 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -106.25 41.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.340000000000003 110.88 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -77.41 -34.4 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -101.4 76.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.923 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -171.17 -37.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 71.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.76 -25.27 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 111.108 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -112.06 26.01 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.510000000000005 110.866 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.722 HG13 HG12 ' A' ' 9' ' ' ILE . 7.3 p -121.95 -34.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 HG13 ' A' ' 8' ' ' VAL . 45.2 mm -101.08 -25.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 63.240000000000002 111.159 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -58.4 -28.26 65.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 74.450000000000003 110.919 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 mt -103.76 -26.34 12.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.875 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 74.510000000000005 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -120.66 26.59 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.329999999999998 110.898 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -127.53 -38.76 1.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.340000000000003 111.08 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.15 -35.59 20.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 110.899 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -53.86 -37.68 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.329999999999998 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.89 -19.67 59.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 75.519999999999996 112.532 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.33 -42.2 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.420000000000002 111.179 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -80.58 57.91 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.938 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -175.37 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 63.149999999999999 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -90.91 -22.01 21.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.79 12.5 9.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.952 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -114.42 -25.86 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -51.83 -39.1 58.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 64.329999999999998 110.837 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.9 p -150.58 89.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.142 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mmm -146.32 -74.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.5 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -105.18 24.79 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.14 19.11 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.883 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 56.51 24.26 8.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.319999999999993 110.888 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.91 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 72.140000000000001 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp 55.6 56.01 6.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.898 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -69.97 -52.13 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.230000000000004 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.65 52.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.899 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -146.05 -42.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 61.520000000000003 111.125 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.05 -25.07 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 111.128 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttm -108.93 25.94 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.718 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -120.31 -33.38 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 111.175 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG13 HG13 ' A' ' 8' ' ' VAL . 62.0 mt -102.79 -25.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 111.128 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.75 -42.8 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 110.895 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.2 mt -85.62 -26.08 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 64.310000000000002 110.952 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.2 -29.93 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 54.310000000000002 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 26.47 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.851 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -123.93 -36.05 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.118 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -87.02 -39.03 16.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 61.009999999999998 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -32.78 17.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 53.119999999999997 110.835 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -22.56 60.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 62.140000000000001 112.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.59 -38.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 52.450000000000003 111.114 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -81.01 57.53 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 tp -175.37 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 -21.66 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 111.122 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.39 12.61 8.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.92 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -113.15 -25.49 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 64.439999999999998 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -51.89 -39.46 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.82 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -150.62 89.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 64.299999999999997 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.3 mmm -146.65 -74.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.857 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.19 24.37 10.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 75.5 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -114.61 18.93 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 24.45 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 53.210000000000001 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.040000000000006 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.879 0.371 . . . . 75.109999999999999 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.0 80.11 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.82 150.35 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 110.873 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 61.71 26.22 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 65.120000000000005 110.913 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.58 -50.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 111.105 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.09 23.79 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 53.439999999999998 111.075 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.42 21.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 110.852 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.701 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.53 -35.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 75.120000000000005 111.117 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.701 HG13 HG13 ' A' ' 8' ' ' VAL . 33.1 mt -94.38 -25.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.577 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.3 m-90 -59.54 -27.0 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.91 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.96 -29.08 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.219999999999999 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.52 28.1 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 61.100000000000001 110.939 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.48 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 61.32 110.858 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 10' ' ' TRP . . . -160.86 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 63.100000000000001 111.067 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -88.95 -30.11 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.049999999999997 110.917 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.44 -35.14 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.230000000000004 110.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.78 -20.03 67.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 53.020000000000003 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.68 -45.52 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 71.120000000000005 111.163 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.37 59.86 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.299999999999997 110.897 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 HG23 ' A' ' 21' ' ' THR . 0.4 OUTLIER -179.23 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.310000000000002 110.905 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 20' ' ' LEU . 25.6 p -91.99 -22.42 19.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 111.15 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.99 13.11 9.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.929 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.61 -26.2 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 71.549999999999997 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -51.78 -38.65 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.540000000000006 110.889 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -150.62 89.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.409999999999997 111.15 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmt -146.06 -74.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 62.450000000000003 110.828 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 24.75 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.895 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.61 19.17 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.109999999999999 110.909 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp 56.68 24.08 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.030000000000001 110.921 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.340000000000003 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.888 0.375 . . . . 70.219999999999999 110.914 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 52.87 72.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.340000000000003 110.922 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -108.66 26.3 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 63.009999999999998 110.872 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -153.93 27.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 73.200000000000003 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.1 t -146.1 -50.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.010000000000005 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.04 23.71 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 54.119999999999997 111.105 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -150.29 21.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.701 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.48 -35.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.230000000000004 111.133 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.701 HG13 HG13 ' A' ' 8' ' ' VAL . 61.9 mt -93.37 -25.12 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -58.38 -25.72 62.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.400000000000006 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.87 -34.52 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 62.32 110.928 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 64.239999999999995 110.916 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -117.75 26.2 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 110.871 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.44 -34.81 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.420000000000002 111.12 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -42.96 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HE ' HD13 ' A' ' 20' ' ' LEU . 11.9 tpt180 -58.93 -33.71 70.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -33.67 38.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 63.310000000000002 112.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.66 -46.46 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 74.150000000000006 111.129 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.08 53.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.907 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.41 HD13 ' HE ' ' A' ' 16' ' ' ARG . 3.2 tp -175.33 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.310000000000002 110.896 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -91.42 -22.9 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 111.118 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.09 12.66 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 75.040000000000006 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -116.11 -26.43 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 65.239999999999995 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.89 -38.47 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -150.64 89.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 70.540000000000006 111.104 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.8 mmm -146.23 -74.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.878 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.46 24.77 11.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.349999999999994 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -114.01 19.47 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 62.039999999999999 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mttt 56.42 24.19 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 64.140000000000001 110.906 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.477 ' N ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 51.310000000000002 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 171.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.400000000000006 110.888 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -56.02 -32.15 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.893 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -106.95 38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 64.109999999999999 110.89 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.9 t -144.26 -52.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.157 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' HB2' ' N ' ' A' ' 1' ' ' LYS . . . -95.04 23.77 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 111.1 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mtt -150.4 20.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 53.119999999999997 110.865 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.63 -35.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 71.230000000000004 111.104 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.732 HG13 HG13 ' A' ' 8' ' ' VAL . 40.1 mt -96.06 -25.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 52.210000000000001 111.111 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -64.59 -26.04 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.45 -25.79 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 62.229999999999997 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -95.96 26.05 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 71.400000000000006 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -160.87 26.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 30.420000000000002 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -43.22 2.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 65.450000000000003 111.142 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.64 -25.78 14.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.5 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -56.76 -27.36 59.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 62.340000000000003 110.863 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.63 -4.18 74.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 74.209999999999994 112.459 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.31 -23.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 70.409999999999997 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.7 46.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.97 -41.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 61.020000000000003 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.16 -24.37 62.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 60.350000000000001 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -123.85 -3.21 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.540000000000006 110.894 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.23 -26.07 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 74.420000000000002 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -51.77 -31.79 28.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 75.140000000000001 110.839 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -150.6 87.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 111.127 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mmm -139.38 -73.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 61.130000000000003 110.898 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -1.47 55.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.540000000000006 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.09 18.76 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.450000000000003 110.919 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.88 24.93 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 70.299999999999997 110.909 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.947 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 tttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 71.230000000000004 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -129.53 114.58 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 60.109999999999999 110.905 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.62 139.74 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 54.450000000000003 110.878 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.66 25.83 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.954 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.0 t -143.92 -54.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 71.049999999999997 111.141 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.92 23.58 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.310000000000002 111.116 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtp -150.49 20.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 73.219999999999999 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.58 -35.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.688 HG13 HG13 ' A' ' 8' ' ' VAL . 60.0 mt -90.51 -25.79 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 54.409999999999997 111.145 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -64.67 -61.71 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.019999999999996 110.942 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -26.85 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -28.45 33.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 110.929 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 26.55 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.319999999999993 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.24 25.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 111.17 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -146.46 -42.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.329999999999998 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -34.87 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.409999999999997 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.34 -20.49 61.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 61.109999999999999 112.469 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.97 -56.07 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.340000000000003 111.151 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.03 61.09 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.310000000000002 110.954 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -170.75 -53.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 71.420000000000002 110.93 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -75.94 -5.26 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 50.539999999999999 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -131.4 4.72 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.439999999999998 110.956 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.33 -22.5 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 51.030000000000001 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.48 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.91 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -150.6 90.79 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 45.530000000000001 111.148 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.6 mmt -149.01 -74.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.854 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -104.26 25.98 9.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 71.030000000000001 110.889 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.91 18.89 15.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 72.239999999999995 110.867 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? 56.13 24.61 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.94 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.893 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 pttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 70.430000000000007 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -95.1 77.67 3.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.530000000000001 110.882 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -100.65 27.81 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.92 28.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.924 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -144.13 -42.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.141 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.51 -25.13 15.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.161 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttt -107.83 25.93 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.844 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 9' ' ' ILE . 7.1 p -121.1 -33.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.749 HG13 HG13 ' A' ' 8' ' ' VAL . 58.8 mt -102.78 -25.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.040000000000006 111.121 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -59.06 -32.33 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.869 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mt -99.14 -26.07 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.129999999999995 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -65.27 -26.27 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.450000000000003 110.955 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 26.51 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 61.530000000000001 110.854 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.86 -36.83 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.149999999999999 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -26.4 19.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.450000000000003 110.908 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.37 -37.98 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.873 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.37 -21.09 47.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 42.340000000000003 112.451 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.41 -51.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 73.420000000000002 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.29 61.82 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.200000000000003 110.898 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.56 -3.54 41.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 62.420000000000002 111.123 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -129.51 -32.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 73.540000000000006 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -50.05 -32.83 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 41.439999999999998 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.3 p80 -53.54 -36.66 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.895 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.568 HG23 ' ND1' ' A' ' 24' ' ' HIS . 73.1 p -137.05 80.35 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 111.101 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.85 -75.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.903 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.13 3.68 54.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -94.46 19.86 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.938 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.42 24.21 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.25 110.916 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 64.200000000000003 110.885 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.9 mttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.887 0.375 . . . . 74.150000000000006 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.02 -171.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 71.019999999999996 110.896 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -54.14 -27.78 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -99.26 31.26 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 64.349999999999994 110.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.5 t -144.89 -51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 111.122 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.95 23.79 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.510000000000005 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.43 21.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 62.140000000000001 110.905 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.705 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.59 -35.9 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.040000000000006 111.171 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.705 HG13 HG13 ' A' ' 8' ' ' VAL . 32.7 mt -94.68 -25.32 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 53.130000000000003 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 74.219999999999999 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -106.96 -25.96 11.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 60.229999999999997 110.907 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -55.81 -25.76 43.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.539999999999999 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.86 26.56 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 73.230000000000004 110.878 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -130.26 -51.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 50.229999999999997 111.096 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.15 -32.63 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -55.35 -27.33 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.319999999999993 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.26 -19.73 77.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 70.109999999999999 112.476 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.58 -46.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.727 0.298 . . . . 73.239999999999995 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -77.32 61.61 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 110.9 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.23 -43.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 70.120000000000005 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -3.35 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -129.78 -32.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 53.409999999999997 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.91 -32.69 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -52.76 -38.79 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 73.219999999999999 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -150.93 88.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 111.165 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -153.91 -41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.510000000000005 110.907 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -102.5 -12.01 18.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -93.22 18.53 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.943 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm 56.46 24.54 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 75.120000000000005 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 62.149999999999999 110.905 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 51.219999999999999 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -125.91 85.56 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.925 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -107.81 -28.02 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 75.030000000000001 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.26 33.76 4.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.951 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.0 t -146.07 -54.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 70.129999999999995 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.94 23.8 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 111.091 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 ttp -150.63 20.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.439999999999998 110.826 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.712 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.64 -35.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.310000000000002 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.712 HG13 HG13 ' A' ' 8' ' ' VAL . 52.5 mt -94.46 -25.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.239999999999995 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -64.13 -25.93 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 73.019999999999996 110.895 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -106.84 -25.74 11.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 74.230000000000004 110.893 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -55.7 -25.96 42.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.209999999999994 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -123.06 25.25 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 64.400000000000006 110.845 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -122.13 -34.75 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.200000000000003 111.12 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -25.6 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 55.240000000000002 110.835 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -26.69 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 71.109999999999999 110.873 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.4 -2.71 80.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 33.420000000000002 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.87 -23.5 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 43.520000000000003 111.117 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.65 49.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.130000000000003 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.430000000000007 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -26.16 64.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.530000000000001 111.199 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -121.16 -11.15 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 54.140000000000001 110.931 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -91.79 -17.62 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 62.25 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.08 -39.08 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.319999999999993 110.849 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -150.95 91.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.540000000000006 111.18 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.7 ptm -156.02 -36.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 53.43 110.846 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.7 pt? -117.92 -6.33 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 62.140000000000001 110.934 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -94.44 20.1 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.239999999999995 110.904 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 56.2 24.53 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.897 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.907 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.8 mttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 74.030000000000001 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' HD2' ' HB2' ' A' ' 6' ' ' ALA . 6.2 mttt -53.06 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 63.450000000000003 110.851 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -75.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -97.31 40.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 110.924 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -147.79 -42.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.230000000000004 111.125 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HB2' ' HD2' ' A' ' 2' ' ' LYS . . . -98.49 -24.93 14.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 61.509999999999998 111.084 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.2 mtp -108.55 25.76 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 60.219999999999999 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG13 HG13 ' A' ' 9' ' ' ILE . 7.2 p -120.88 -33.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 111.135 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG13 HG13 ' A' ' 8' ' ' VAL . 76.1 mt -102.69 -25.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.076 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -60.76 -41.86 96.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.921 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.45 -26.26 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 71.25 110.925 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -53.79 -28.37 34.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 65.430000000000007 110.955 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.84 26.64 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 64.049999999999997 110.837 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 25.21 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 63.350000000000001 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -152.11 -57.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.120000000000005 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.61 -33.64 31.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.140000000000001 110.871 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -20.09 79.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 51.420000000000002 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.07 -47.4 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 71.519999999999996 111.07 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -79.1 59.85 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 tp -170.31 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.439999999999998 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.5 p -76.04 -5.2 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.156 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.66 4.97 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.947 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -98.39 -22.55 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 72.230000000000004 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -50.62 -42.46 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.120000000000005 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 p -150.55 90.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.510000000000005 111.156 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.3 mmm -149.07 -74.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.549999999999997 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.01 25.99 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 60.509999999999998 110.912 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -115.91 18.99 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 72.150000000000006 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.16 24.55 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 73.219999999999999 110.883 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 74.430000000000007 110.918 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 72.310000000000002 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 94.15 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.899 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -124.46 -36.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 65.120000000000005 110.848 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -95.75 34.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 110.889 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -145.31 -50.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.129999999999995 111.107 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 111.115 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.33 21.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.57 -35.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.150000000000006 111.13 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.709 HG13 HG13 ' A' ' 8' ' ' VAL . 34.0 mt -94.78 -25.34 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 61.310000000000002 111.135 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -60.98 -26.04 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.948 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 2.4 mt -107.15 -26.88 10.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -53.36 -28.99 31.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.25 27.24 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.109999999999999 110.857 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -130.16 -43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 111.087 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -34.65 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -54.55 -37.61 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.420000000000002 110.853 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -19.69 51.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.466 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.19 -42.22 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 64.400000000000006 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -79.29 59.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.924 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.93 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 110.889 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -69.7 -26.7 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.239999999999995 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -118.1 -17.09 9.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.911 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -80.48 -29.68 37.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.200000000000003 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -51.78 -30.15 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.340000000000003 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -150.37 86.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.340000000000003 111.124 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -73.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.140000000000001 110.911 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pp -112.71 24.78 12.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.92 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -114.84 22.03 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.75 20.07 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 71.030000000000001 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 110.923 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.843 0.354 . . . . 74.019999999999996 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -137.1 32.41 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 55.140000000000001 110.962 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -83.65 -26.86 29.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.844 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -104.33 37.09 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.040000000000006 110.906 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -146.81 -49.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 75.030000000000001 111.144 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.97 23.65 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.430000000000007 111.138 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.7 mtp -150.22 21.17 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.865 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG13 HG13 ' A' ' 9' ' ' ILE . 7.6 p -124.52 -35.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.420000000000002 111.114 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.656 HG13 HG13 ' A' ' 8' ' ' VAL . 28.3 mt -92.41 -25.8 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.049999999999997 111.093 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.57 -58.12 9.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.58 68.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 64.329999999999998 110.926 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -55.34 -26.55 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 73.209999999999994 110.881 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 26.95 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 65.340000000000003 110.838 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.53 25.49 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 60.329999999999998 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.29 -52.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -24.32 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.77 66.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 62.43 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.72 -17.66 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 70.030000000000001 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -90.02 46.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.549999999999997 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.38 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.942 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 -22.29 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.030000000000001 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.95 12.8 9.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 73.430000000000007 110.972 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -116.12 -26.06 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 74.25 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -51.63 -38.79 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 54.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 30' ' ' LYS . 68.7 p -134.74 74.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 111.149 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -70.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.030000000000001 110.916 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.92 23.97 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 71.310000000000002 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -114.94 20.96 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 64.219999999999999 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.88 20.57 11.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 70.019999999999996 110.892 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.219999999999999 110.883 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.7 tttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.854 0.359 . . . . 54.5 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt 55.78 62.91 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.140000000000001 110.946 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.86 -30.25 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.329999999999998 110.908 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -99.25 28.65 4.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 110.939 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.5 t -146.34 -50.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 71.099999999999994 111.138 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 23.7 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 60.210000000000001 111.113 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 21.14 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 61.049999999999997 110.877 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.694 HG13 HG13 ' A' ' 9' ' ' ILE . 7.5 p -124.5 -35.81 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 55.219999999999999 111.122 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.694 HG13 HG13 ' A' ' 8' ' ' VAL . 32.8 mt -93.98 -26.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 111.158 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.712 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 m-90 -60.12 -33.81 72.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.099999999999994 110.909 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mt -99.35 -26.64 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 70.150000000000006 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -96.11 26.32 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 60.450000000000003 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 33.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 65.140000000000001 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 10' ' ' TRP . . . -174.0 31.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -170.37 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 75.329999999999998 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -34.13 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.230000000000004 110.88 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.78 -21.16 62.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 61.340000000000003 112.468 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 -44.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 74.219999999999999 111.125 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.66 55.41 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.350000000000001 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.21 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -90.76 -24.16 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.109999999999999 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.76 11.41 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.925 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -116.68 -25.97 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.099999999999994 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 25' ' ' THR . 3.1 p80 -51.76 -38.02 53.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 74.409999999999997 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' ND1' ' A' ' 24' ' ' HIS . 65.1 p -123.61 61.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 111.141 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -73.62 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 70.140000000000001 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.18 21.5 14.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.340000000000003 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -113.52 21.8 14.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.510000000000005 110.881 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 62.06 20.17 11.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 73.140000000000001 110.837 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 60.219999999999999 110.906 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.877 0.37 . . . . 74.430000000000007 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 -173.24 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 63.340000000000003 110.854 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 64.45 18.18 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.530000000000001 110.851 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.43 23.4 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.540000000000006 110.909 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -144.29 -41.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.229999999999997 111.161 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.39 22.07 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 51.229999999999997 111.093 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.6 mmt -150.5 19.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.677 HG13 HG12 ' A' ' 9' ' ' ILE . 7.5 p -124.92 -35.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 64.209999999999994 111.133 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.677 HG12 HG13 ' A' ' 8' ' ' VAL . 39.3 mm -96.65 -24.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 70.540000000000006 111.114 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 1.2 m-90 -61.05 -25.61 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -37.24 6.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 61.210000000000001 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.67 -24.35 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.884 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 26.11 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.859 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -124.23 -36.35 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.079 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -34.16 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -29.91 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.109999999999999 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.52 57.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.496 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -92.92 -28.79 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 63.530000000000001 111.087 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 36.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 61.210000000000001 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -155.16 -41.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 p -70.18 -24.6 63.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -126.9 -3.33 6.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 110.905 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -50.64 -27.68 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.510000000000005 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 29.5 m-70 -54.19 -28.98 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 64.519999999999996 110.827 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.5 p -127.37 38.6 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.120000000000005 111.151 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -123.69 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 61.240000000000002 110.892 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.3 2.64 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 110.921 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -94.13 20.42 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.140000000000001 110.924 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 57.73 22.81 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.903 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.329999999999998 110.919 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.9 tttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 71.450000000000003 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.54 91.8 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.921 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -102.5 149.7 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 65.099999999999994 110.832 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 58.46 26.24 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 73.329999999999998 110.921 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.94 -50.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 64.019999999999996 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 23.69 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 111.13 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.27 21.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG13 HG12 ' A' ' 9' ' ' ILE . 7.6 p -124.48 -35.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 64.209999999999994 111.115 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.636 HG12 HG13 ' A' ' 8' ' ' VAL . 38.6 mm -94.56 -27.27 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.118 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.667 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.3 m-90 -60.45 -29.45 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 64.540000000000006 110.905 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.69 -29.37 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.140000000000001 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -97.55 26.52 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.56 31.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 62.43 110.889 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 10' ' ' TRP . . . -161.25 -40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 65.510000000000005 111.143 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.46 -27.85 59.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 60.32 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.4 -30.07 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 51.210000000000001 110.868 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.3 -19.82 66.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 54.32 112.494 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.28 -49.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.785 0.326 . . . . 54.32 111.114 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -77.35 61.78 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.76 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -73.34 -23.09 60.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -128.13 -1.05 5.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.540000000000006 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -54.36 -34.13 60.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' ND1' HG23 ' A' ' 25' ' ' THR . 9.7 p80 -60.37 -23.65 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 75.030000000000001 110.884 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.406 HG23 ' ND1' ' A' ' 24' ' ' HIS . 67.0 p -141.41 63.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.43 111.116 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -74.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.340000000000003 110.865 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 21.79 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -113.19 21.62 15.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 110.916 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mttp 61.7 20.66 11.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 55.420000000000002 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.219999999999999 110.874 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 11.0 pttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.888 0.375 . . . . 73.319999999999993 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -136.06 -174.47 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 65.549999999999997 110.887 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 75.010000000000005 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.48 47.8 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.964 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.5 t -149.0 -42.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 75.299999999999997 111.086 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 1' ' ' LYS . . . -97.95 -25.24 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 45.119999999999997 111.077 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttt -108.25 26.03 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 71.439999999999998 110.83 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.733 HG13 HG13 ' A' ' 9' ' ' ILE . 7.1 p -121.17 -33.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 70.5 111.18 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.733 HG13 HG13 ' A' ' 8' ' ' VAL . 62.2 mt -102.54 -25.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.140000000000001 111.138 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -59.2 -25.95 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -107.91 -32.65 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 64.129999999999995 110.928 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.18 -25.76 68.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.229999999999997 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -118.61 26.21 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 74.329999999999998 110.859 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.9 -35.99 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.229999999999997 111.049 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -29.4 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.886 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -98.04 -35.33 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.049999999999997 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.01 -19.56 45.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.758 . . . . 54.5 112.495 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.63 -58.03 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 63.210000000000001 111.156 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -77.18 62.74 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.906 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.09 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -68.27 -25.36 65.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 53.039999999999999 111.181 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -119.92 -10.95 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 70.010000000000005 110.905 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -104.77 37.82 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 52.240000000000002 110.944 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -120.93 -8.02 9.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.84 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -151.22 36.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.450000000000003 111.132 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.3 ptm -127.21 -36.33 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.439999999999998 110.855 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -117.81 -14.12 10.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 75.150000000000006 110.921 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.2 18.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 3.1 mttp 63.37 21.29 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.340000000000003 110.894 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 62.329999999999998 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 61.520000000000003 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -135.26 89.18 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.878 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -80.06 144.05 33.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.450000000000003 110.863 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 63.08 36.07 12.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 64.329999999999998 110.901 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.3 t -145.0 -69.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 51.509999999999998 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.04 -5.3 53.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 111.092 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -115.11 25.7 10.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 73.430000000000007 110.882 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.17 -60.76 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 64.409999999999997 111.168 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 9' ' ' ILE . 14.9 mt -81.23 -4.19 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 50.340000000000003 111.153 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -95.4 -20.21 19.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.9 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -127.2 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 64.299999999999997 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -25.08 47.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.935 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 25.84 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 73.439999999999998 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.93 -38.49 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.512 . . . . 73.400000000000006 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.41 -33.47 23.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -62.43 -44.55 96.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.349999999999994 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.66 -32.41 54.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 61.520000000000003 112.511 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -78.21 -43.72 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.334 . . . . 61.200000000000003 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -86.27 53.94 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.120000000000005 110.902 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -92.37 -22.21 19.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.62 13.14 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 60.130000000000003 110.911 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -113.67 -27.03 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.109999999999999 110.84 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' ND1' HG23 ' A' ' 25' ' ' THR . 4.9 p80 -51.92 -38.81 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.310000000000002 110.855 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' ND1' ' A' ' 24' ' ' HIS . 52.4 p -114.14 46.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 64.239999999999995 111.19 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.83 -68.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -1.84 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.340000000000003 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -94.41 19.85 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.939 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' LYS . 17.4 mttt 62.8 20.86 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.299999999999997 110.899 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.921 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 71.120000000000005 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.728 ' CD ' ' HB2' ' A' ' 6' ' ' ALA . 57.8 mttt -118.07 -80.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 110.901 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.18 -81.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 74.109999999999999 110.854 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -93.67 68.25 3.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 74.400000000000006 110.935 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -177.46 -33.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 42.340000000000003 111.129 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.728 ' HB2' ' CD ' ' A' ' 2' ' ' LYS . . . -96.11 -25.18 15.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 71.310000000000002 111.047 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ttt -110.95 24.79 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 53.520000000000003 110.891 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.684 HG13 HG12 ' A' ' 9' ' ' ILE . 7.7 p -124.66 -35.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 41.43 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.684 HG12 HG13 ' A' ' 8' ' ' VAL . 30.5 mm -97.87 -25.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 64.319999999999993 111.102 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.84 -50.88 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.019999999999996 110.916 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.82 -25.95 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 75.340000000000003 110.911 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -55.41 -26.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 65.140000000000001 110.924 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.4 p -123.07 26.44 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.826 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . . . -132.43 -40.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 70.430000000000007 111.069 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -81.89 -26.32 34.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.539999999999999 110.88 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -26.55 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 110.895 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.96 -19.7 67.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 74.010000000000005 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.45 -47.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.334 . . . . 62.25 111.13 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -77.46 61.1 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.19 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.430000000000007 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.77 -27.43 61.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.349999999999994 111.173 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -126.61 -0.95 6.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 74.150000000000006 110.908 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.54 42.09 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 74.030000000000001 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.593 ' ND1' HG23 ' A' ' 25' ' ' THR . 8.5 p80 -116.55 -37.99 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 110.851 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 HG23 ' ND1' ' A' ' 24' ' ' HIS . 76.7 p -123.75 55.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 63.409999999999997 111.13 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -141.03 -43.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.049999999999997 110.877 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.23 -1.54 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -94.36 20.21 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.858 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.46 23.47 9.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.889 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 110.886 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.9 mttt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.871 0.367 . . . . 71.099999999999994 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.01 173.32 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 65.239999999999995 110.924 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -66.04 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.329999999999998 110.879 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.91 43.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.010000000000005 110.91 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.44 -58.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 53.43 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.89 -17.77 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 34.409999999999997 111.077 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.96 23.13 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.150000000000006 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.16 -41.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 111.105 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG23 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -96.89 19.58 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 75.439999999999998 111.109 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.448 ' CE3' HG23 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -96.45 -36.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.879 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.74 -26.15 11.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 63.509999999999998 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -56.6 -26.44 55.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 110.891 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -128.39 32.39 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 64.040000000000006 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.38 -52.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -34.23 32.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.5 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -65.27 -29.11 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 70.519999999999996 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.93 -23.41 71.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 62.149999999999999 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.26 -49.19 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 72.349999999999994 111.101 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -77.55 60.95 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 50.399999999999999 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 110.96 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.68 -22.73 20.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 53.130000000000003 111.104 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.58 12.55 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.32 110.894 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.51 -25.65 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -51.8 -37.9 53.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.409999999999997 110.858 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.8 p -150.59 89.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.450000000000003 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -74.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 110.855 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 24.93 11.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.049999999999997 110.899 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.99 19.14 16.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 110.928 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt 56.72 24.01 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.899 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 71.420000000000002 110.916 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.78 0.324 . . . . 61.229999999999997 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.0 tptp 54.75 72.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.927 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -51.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.871 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -94.41 48.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.93 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -141.8 -57.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.239999999999995 111.123 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.81 -17.71 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 60.219999999999999 111.128 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.9 23.1 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.209999999999994 110.857 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.19 -41.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.049999999999997 111.11 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.446 HG23 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -96.97 19.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 63.140000000000001 111.147 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' CE3' HG23 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -96.47 -36.67 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.040000000000006 110.961 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.18 -27.33 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.230000000000004 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.16 -26.42 62.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.420000000000002 110.915 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.91 26.37 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 64.319999999999993 110.866 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.96 -36.02 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 43.439999999999998 111.114 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.37 -30.37 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 61.109999999999999 110.901 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -79.47 -26.13 41.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 63.299999999999997 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.93 19.39 49.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 70.530000000000001 112.512 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 t -141.27 -44.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 72.319999999999993 111.099 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -83.4 55.69 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -175.41 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.945 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -21.57 21.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.07 12.63 8.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 63.049999999999997 110.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -113.23 -25.59 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -51.81 -39.44 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.902 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 p -150.63 89.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.019999999999996 111.147 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mmt -146.44 -74.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 64.040000000000006 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.97 24.62 11.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 63.210000000000001 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.56 19.05 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 110.933 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 56.44 24.3 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 72.519999999999996 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 72.010000000000005 110.87 179.854 . . . . . . . . 1 1 . 1 stop_ save_