data_1wo5_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 1wo5 _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 ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -89.52 -38.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.57 -26.28 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 17.6 t -55.89 116.06 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -98.21 31.31 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.11 172.24 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.1 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.78 -35.97 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 22' ' ' HIS . 6.7 t -62.62 -58.32 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -28.98 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.751 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.33 -4.78 17.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.665 0.269 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.66 6.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.465 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.8 76.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.43 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 t -58.11 -56.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.282 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.03 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.76 -35.23 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.28 -34.94 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.01 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mtt -46.52 -28.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -58.67 -47.22 85.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -101.85 14.43 31.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 0.01 111.544 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.1 m -144.97 30.86 1.15 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.76 -169.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.182 -0.914 . . . . 1.0 110.838 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.957 0.408 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -109.74 -25.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.191 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.1 t -59.11 160.78 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -136.95 31.35 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.38 159.0 19.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -81.01 -48.34 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -91.91 49.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -156.49 -66.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.23 60.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.6 25.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.695 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.97 0.06 54.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.615 0.245 . . . . 0.0 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.18 31.0 20.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.18 141.11 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.12 -65.3 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.8 t60 -75.09 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.01 110.809 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.82 -44.81 14.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.706 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -57.3 -25.86 59.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.62 4.07 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.01 111.033 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 84.32 1.79 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -178.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 160.34 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 1.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.992 0.425 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.4 tp -111.19 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.66 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.3 t -60.24 155.97 16.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -125.17 30.52 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 mt -112.11 165.55 12.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -94.92 -30.67 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -93.63 -29.35 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 6.5 t -88.52 -57.02 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.6 35.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.76 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.95 -0.81 53.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.683 0.278 . . . . 0.0 111.587 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.52 31.12 19.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.18 127.18 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.84 -50.92 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.37 87.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.42 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.4 t60 -75.13 -61.59 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.01 110.787 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mmt -46.33 -44.97 17.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -57.13 -25.53 59.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.69 3.82 13.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.01 111.108 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.68 82.2 1.72 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.996 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 160.95 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.99 0.424 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 tp -110.15 -29.28 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.25 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.6 t -60.65 162.27 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.99 33.86 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.78 148.8 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -73.45 -60.33 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.99 -24.26 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -95.04 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.03 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.63 35.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.852 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.11 0.5 13.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.564 0.221 . . . . 0.0 111.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.82 32.0 21.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.0 130.28 52.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.82 -63.35 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.55 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.9 t60 -75.06 -62.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.01 110.789 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.3 mtp -46.01 -44.64 15.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.661 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -57.23 -25.69 59.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.01 4.17 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.01 111.084 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.55 34.68 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 171.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.996 0.427 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -111.55 -30.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.6 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 7.0 t -59.81 159.21 9.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -127.7 31.86 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.2 mt -122.33 148.81 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -73.49 -63.61 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.98 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -95.13 -66.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.232 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.69 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.493 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.35 15.36 4.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.028 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -1.09 53.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.562 0.22 . . . . 0.0 111.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.42 30.43 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 111.242 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -118.54 122.92 43.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.42 -59.5 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.57 95.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -30.27 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.0 -62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.01 110.82 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -45.73 -44.8 14.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.702 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 t -57.51 -26.14 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -114.95 3.83 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.01 110.975 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.846 0.355 . . . . 0.0 110.999 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 172.38 5.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.969 0.414 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -111.6 -31.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.39 68.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.3 t -59.18 160.6 6.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.55 33.46 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 mt -116.28 151.56 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -57.53 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.47 51.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -158.61 -57.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.75 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.691 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.73 0.37 30.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.623 0.249 . . . . 0.0 111.615 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.61 20.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.15 134.48 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.02 -51.22 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.38 88.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.72 69.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t60 -75.17 -61.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.01 110.794 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttt -46.46 -44.95 17.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.695 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -56.6 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.28 3.9 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.043 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.57 30.98 1.33 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.45 152.49 17.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.845 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.49 30.69 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.71 -31.03 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.0 t -59.51 163.27 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -125.07 35.07 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -127.21 149.27 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -58.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.57 -23.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -93.17 -61.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.042 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.98 44.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.846 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.54 -0.49 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.527 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.78 30.98 19.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 111.189 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.24 123.18 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.55 -54.39 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.98 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.21 71.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.605 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.3 t60 -75.17 -61.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.01 110.7 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 ttm -46.65 -44.95 18.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -56.88 -25.31 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.21 3.84 13.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.01 111.067 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.605 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 32.86 1.29 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.95 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 152.32 21.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.268 -0.872 . . . . 1.0 110.936 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.986 0.422 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 tt -121.44 28.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.32 -30.31 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.7 t -58.7 162.49 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -129.17 31.63 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.61 154.75 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -60.22 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -88.14 54.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.5 t -162.51 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.91 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.61 35.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.697 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.91 -0.11 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.577 0.227 . . . . 0.0 111.589 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.97 20.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.9 108.66 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.14 -48.23 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.3 -36.78 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.04 -60.43 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.01 110.769 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.21 -44.82 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.694 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -56.87 -24.74 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.054 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.93 3.86 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.01 111.008 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.604 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 31.02 1.33 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.851 0.358 . . . . 0.0 111.009 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 171.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.212 -0.899 . . . . 1.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.917 0.389 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -120.47 29.45 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.07 -30.35 7.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.0 t -58.51 161.29 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -120.31 35.01 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -133.03 144.37 50.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -71.52 -57.72 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.14 -27.87 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.33 -66.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.09 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.746 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.95 -1.71 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.623 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.54 30.42 17.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -145.86 107.39 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -68.95 -47.68 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.57 91.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.19 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.15 -60.42 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -47.24 -44.76 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.713 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -56.81 -24.59 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 3.94 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.01 111.112 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.608 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.6 30.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.045 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 168.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.021 0.439 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt -124.66 30.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.83 -30.36 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.202 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.4 t -58.41 160.98 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.37 35.1 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mt -131.05 164.41 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -88.96 -59.0 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.34 -27.31 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -88.8 -65.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.34 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.74 35.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.738 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.03 -1.3 45.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 0.0 111.623 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.04 30.38 18.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -148.65 112.39 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.55 -43.79 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -47.04 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.44 70.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.17 -60.36 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.01 110.731 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mtt -47.46 -44.73 25.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -56.55 -24.54 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.59 4.06 12.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.01 111.064 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 82.07 1.72 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.999 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.17 10.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.224 -0.893 . . . . 1.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -130.24 28.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 -30.54 7.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.4 t -58.58 158.35 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -115.27 33.01 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.7 mt -129.07 142.79 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -70.45 -58.17 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.3 -28.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -87.11 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.96 -48.08 75.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.62 35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.822 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.0 -1.23 52.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.3 . . . . 0.0 111.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.79 30.57 17.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.39 109.08 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -68.69 -43.32 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.16 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t60 -75.07 -59.95 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.01 110.758 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 tpp -47.49 -44.61 25.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.748 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -56.8 -24.66 52.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.0 3.73 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.01 111.081 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.53 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 179.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.926 0.393 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 tt -110.37 -29.66 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -27.71 64.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 7.7 t -57.68 161.31 3.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 41.1 p90 -111.21 -19.42 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.309 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' HG ' ' CE1' ' A' ' 6' ' ' PHE . 22.2 mt -84.89 136.11 33.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -52.15 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.75 -28.5 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 6.3 t -88.29 -57.54 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.34 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.757 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.2 -2.3 46.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.534 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.62 30.46 17.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.04 107.27 4.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.88 -44.65 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.23 82.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.35 70.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.18 -61.26 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.01 110.715 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttm -46.35 -45.07 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.674 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -57.04 -25.76 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.31 . . . . 0.0 111.105 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.4 3.83 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.01 111.089 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.71 82.61 1.73 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 174.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.308 -0.853 . . . . 1.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.989 0.423 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.61 34.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.66 29.83 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 14.2 t -116.46 144.68 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -103.89 34.82 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.1 mt -130.75 142.53 50.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -60.9 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.94 -25.45 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -88.06 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.95 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.69 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.732 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.8 -1.95 31.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.543 0.211 . . . . 0.0 111.515 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.46 30.32 16.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.14 112.15 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 t -73.98 -50.18 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.73 91.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -36.44 72.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.19 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.01 110.756 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ttt -47.15 -44.79 22.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.672 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 t -56.71 -25.18 53.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.44 3.72 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.01 111.074 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.65 32.22 1.3 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.68 143.94 39.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 1.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.954 0.407 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.21 35.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.13 29.96 6.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.4 t -120.82 158.28 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -124.32 34.95 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 mt -127.21 146.65 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.89 -23.38 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.278 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -93.77 -65.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.52 -44.68 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.62 35.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.765 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.0 -0.24 12.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.593 0.235 . . . . 0.0 111.517 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.12 29.77 17.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.73 117.74 30.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 t -86.37 -63.2 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.77 93.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.599 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.0 t60 -75.16 -62.39 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.01 110.832 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.8 mtm -46.1 -44.91 16.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -56.91 -25.94 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.79 4.25 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.01 111.092 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.599 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 31.19 1.33 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.04 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 178.07 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.208 -0.901 . . . . 1.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 tt -134.82 26.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.45 -30.62 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.8 t -58.45 162.48 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -125.06 32.9 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.45 155.68 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -78.6 -47.16 17.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.96 40.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -145.2 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.96 -49.35 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.776 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.48 53.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 111.502 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.02 30.66 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -153.5 113.84 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.39 -34.44 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.53 65.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.27 -38.01 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.23 -59.99 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.01 110.746 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 mtm -47.88 -44.54 29.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.707 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -56.62 -24.31 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.88 3.98 12.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.01 111.035 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 82.99 1.75 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 174.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.947 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.04 0.448 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -125.06 35.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.39 30.34 4.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.4 t -121.35 159.07 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.95 34.9 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.75 139.21 53.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -48.43 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.3 p -94.4 45.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -151.93 -58.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.05 -49.79 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.78 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.87 -0.42 34.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.604 0.24 . . . . 0.0 111.567 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 30.73 19.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -141.07 105.92 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -71.8 -49.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.19 90.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.83 71.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.019 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.2 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.01 110.741 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttm -47.24 -44.85 23.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.68 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -56.6 -24.8 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.06 12.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.01 111.027 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.67 31.22 1.32 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 178.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.174 -0.917 . . . . 1.0 110.869 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 tt -110.37 -29.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.99 -26.42 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.8 t -56.9 130.09 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -98.02 35.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -128.67 -160.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -134.67 -46.1 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.65 -29.39 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 46.7 t -89.78 -52.07 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.89 95.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.22 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.773 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.62 -0.18 46.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.595 0.236 . . . . 0.0 111.6 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.22 36.74 25.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -150.14 109.73 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.24 -44.87 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.98 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -31.05 67.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.19 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.01 110.713 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.26 -44.94 16.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.639 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -56.91 -25.44 57.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.33 4.09 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.01 111.053 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 38.22 1.36 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 120.885 0.374 . . . . 0.0 110.929 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 164.87 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 1.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.983 0.42 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -111.49 -29.48 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -28.69 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.9 t -58.52 159.69 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.75 34.25 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.06 148.51 43.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -66.68 -60.85 2.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.35 55.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -160.72 -59.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.53 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.742 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.3 -0.02 24.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.581 0.229 . . . . 0.0 111.593 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.86 29.63 19.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -130.83 155.39 46.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -118.03 -48.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.73 82.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.1 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.2 t60 -75.18 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.01 110.775 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttm -47.2 -44.63 22.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.646 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -56.69 -25.21 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.75 3.76 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.01 111.01 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.611 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.56 30.36 1.36 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.64 173.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.314 -0.85 . . . . 1.0 110.921 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.996 0.427 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -111.39 -25.29 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.32 -27.83 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.3 t -57.11 131.37 49.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -97.91 34.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.78 -160.39 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.71 -45.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -67.37 -29.16 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 49.0 t -91.31 -48.75 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.71 83.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.738 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.32 -0.53 49.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.633 0.254 . . . . 0.0 111.565 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.88 30.72 19.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 104.13 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.4 t -68.71 -44.11 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.63 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.73 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t60 -75.2 -62.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.01 110.715 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttm -46.12 -44.84 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.772 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -57.05 -25.64 58.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.528 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.08 4.23 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.01 111.108 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 52.85 1.33 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.014 0.435 . . . . 0.0 110.912 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.54 -178.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.203 -0.903 . . . . 1.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.96 0.409 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -123.63 31.03 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.94 30.39 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.4 t -107.07 138.72 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -97.75 34.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.7 -159.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.69 -46.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.754 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.39 -28.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 43.3 t -85.72 -42.79 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.08 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.63 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.746 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.63 -0.83 39.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.541 0.21 . . . . 0.0 111.534 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.39 30.67 18.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -141.36 107.0 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.8 -49.39 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.11 83.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.13 -35.35 69.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.5 t60 -75.15 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.01 110.782 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mmm -47.03 -44.87 20.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.728 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -56.65 -24.88 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.23 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.01 111.084 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.63 51.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.0 110.812 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -179.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 1.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.683 0.278 . . . . 1.0 111.281 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p 43.99 31.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -89.52 -38.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.57 -26.28 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 17.6 t -55.89 116.06 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -98.21 31.31 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.11 172.24 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.1 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.78 -35.97 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 22' ' ' HIS . 6.7 t -62.62 -58.32 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -28.98 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.751 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.33 -4.78 17.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.665 0.269 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.66 6.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.465 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.8 76.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.43 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 t -58.11 -56.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.282 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.03 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.76 -35.23 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.28 -34.94 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.01 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mtt -46.52 -28.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -58.67 -47.22 85.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -101.85 14.43 31.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 0.01 111.544 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.1 m -144.97 30.86 1.15 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.76 -169.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.182 -0.914 . . . . 1.0 110.838 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.855 0.36 . . . . 1.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -88.83 53.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -109.74 -25.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.191 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.1 t -59.11 160.78 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -136.95 31.35 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.38 159.0 19.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -81.01 -48.34 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -91.91 49.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -156.49 -66.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.23 60.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.6 25.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.695 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.97 0.06 54.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.615 0.245 . . . . 0.0 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.18 31.0 20.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.18 141.11 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.12 -65.3 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.8 t60 -75.09 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.01 110.809 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.82 -44.81 14.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.706 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -57.3 -25.86 59.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.62 4.07 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.01 111.033 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 84.32 1.79 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -178.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 160.34 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 1.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.825 0.345 . . . . 1.0 111.169 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.21 51.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.4 tp -111.19 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.66 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.3 t -60.24 155.97 16.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -125.17 30.52 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 mt -112.11 165.55 12.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -94.92 -30.67 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -93.63 -29.35 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 6.5 t -88.52 -57.02 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.6 35.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.76 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.95 -0.81 53.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.683 0.278 . . . . 0.0 111.587 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.52 31.12 19.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.18 127.18 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.84 -50.92 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.37 87.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.42 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.4 t60 -75.13 -61.59 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.01 110.787 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mmt -46.33 -44.97 17.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -57.13 -25.53 59.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.69 3.82 13.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.01 111.108 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.68 82.2 1.72 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.996 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 160.95 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.803 0.335 . . . . 1.0 111.213 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.99 51.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 tp -110.15 -29.28 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.25 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.6 t -60.65 162.27 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.99 33.86 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.78 148.8 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -73.45 -60.33 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.99 -24.26 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -95.04 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.03 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.63 35.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.852 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.11 0.5 13.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.564 0.221 . . . . 0.0 111.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.82 32.0 21.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.0 130.28 52.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.82 -63.35 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.55 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.9 t60 -75.06 -62.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.01 110.789 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.3 mtp -46.01 -44.64 15.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.661 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -57.23 -25.69 59.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.01 4.17 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.01 111.084 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.55 34.68 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 171.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.857 0.36 . . . . 1.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -82.29 59.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -111.55 -30.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.6 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 7.0 t -59.81 159.21 9.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -127.7 31.86 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.2 mt -122.33 148.81 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -73.49 -63.61 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.98 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -95.13 -66.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.232 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.69 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.493 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.35 15.36 4.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.028 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -1.09 53.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.562 0.22 . . . . 0.0 111.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.42 30.43 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 111.242 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -118.54 122.92 43.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.42 -59.5 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.57 95.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -30.27 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.0 -62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.01 110.82 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -45.73 -44.8 14.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.702 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.9 t -57.51 -26.14 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -114.95 3.83 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.01 110.975 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.846 0.355 . . . . 0.0 110.999 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 172.38 5.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.847 0.356 . . . . 1.0 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 p -94.01 46.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -111.6 -31.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.39 68.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.3 t -59.18 160.6 6.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.55 33.46 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 mt -116.28 151.56 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -57.53 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.47 51.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -158.61 -57.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.75 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.691 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.73 0.37 30.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.623 0.249 . . . . 0.0 111.615 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.61 20.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.15 134.48 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.02 -51.22 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.38 88.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.72 69.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t60 -75.17 -61.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.01 110.794 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttt -46.46 -44.95 17.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.695 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -56.6 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.28 3.9 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.043 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.57 30.98 1.33 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.45 152.49 17.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.845 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.845 0.355 . . . . 1.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.94 48.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.49 30.69 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.71 -31.03 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.0 t -59.51 163.27 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -125.07 35.07 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -127.21 149.27 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -58.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.57 -23.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -93.17 -61.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.042 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.98 44.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.846 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.54 -0.49 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.527 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.78 30.98 19.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 111.189 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.24 123.18 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.55 -54.39 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.98 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.21 71.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.605 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.3 t60 -75.17 -61.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.01 110.7 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 ttm -46.65 -44.95 18.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -56.88 -25.31 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.21 3.84 13.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.01 111.067 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.605 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 32.86 1.29 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.95 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 152.32 21.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.268 -0.872 . . . . 1.0 110.936 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.824 0.345 . . . . 1.0 111.224 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -92.06 49.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 tt -121.44 28.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.32 -30.31 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.7 t -58.7 162.49 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -129.17 31.63 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.61 154.75 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -60.22 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -88.14 54.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.5 t -162.51 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.91 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.61 35.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.697 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.91 -0.11 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.577 0.227 . . . . 0.0 111.589 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.97 20.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.9 108.66 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.14 -48.23 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.3 -36.78 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.04 -60.43 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.01 110.769 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.21 -44.82 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.694 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -56.87 -24.74 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.054 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.93 3.86 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.01 111.008 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.604 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 31.02 1.33 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.851 0.358 . . . . 0.0 111.009 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 171.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.212 -0.899 . . . . 1.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.848 0.356 . . . . 1.0 111.197 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.75 40.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -120.47 29.45 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.07 -30.35 7.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.0 t -58.51 161.29 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -120.31 35.01 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -133.03 144.37 50.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -71.52 -57.72 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.14 -27.87 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.33 -66.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.09 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.746 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.95 -1.71 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.623 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.54 30.42 17.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -145.86 107.39 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -68.95 -47.68 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.57 91.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.19 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.15 -60.42 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -47.24 -44.76 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.713 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -56.81 -24.59 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 3.94 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.01 111.112 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.608 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.6 30.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.045 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 168.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.758 0.313 . . . . 1.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -94.72 47.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt -124.66 30.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.83 -30.36 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.202 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.4 t -58.41 160.98 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.37 35.1 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mt -131.05 164.41 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -88.96 -59.0 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.34 -27.31 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -88.8 -65.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.34 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.74 35.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.738 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.03 -1.3 45.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 0.0 111.623 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.04 30.38 18.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -148.65 112.39 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.55 -43.79 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -47.04 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.44 70.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.17 -60.36 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.01 110.731 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mtt -47.46 -44.73 25.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -56.55 -24.54 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.59 4.06 12.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.01 111.064 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 82.07 1.72 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.999 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.17 10.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.224 -0.893 . . . . 1.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 1.0 111.115 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -95.07 52.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -130.24 28.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 -30.54 7.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.4 t -58.58 158.35 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -115.27 33.01 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.7 mt -129.07 142.79 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -70.45 -58.17 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.3 -28.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -87.11 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.96 -48.08 75.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.62 35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.822 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.0 -1.23 52.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.3 . . . . 0.0 111.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.79 30.57 17.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.39 109.08 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -68.69 -43.32 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.16 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t60 -75.07 -59.95 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.01 110.758 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 tpp -47.49 -44.61 25.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.748 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -56.8 -24.66 52.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.0 3.73 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.01 111.081 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.53 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 179.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.801 0.334 . . . . 1.0 111.22 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -96.07 43.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 tt -110.37 -29.66 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -27.71 64.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 7.7 t -57.68 161.31 3.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 41.1 p90 -111.21 -19.42 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.309 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' HG ' ' CE1' ' A' ' 6' ' ' PHE . 22.2 mt -84.89 136.11 33.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -52.15 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.75 -28.5 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 6.3 t -88.29 -57.54 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.34 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.757 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.2 -2.3 46.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.534 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.62 30.46 17.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.04 107.27 4.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.88 -44.65 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.23 82.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.35 70.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.18 -61.26 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.01 110.715 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttm -46.35 -45.07 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.674 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -57.04 -25.76 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.31 . . . . 0.0 111.105 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.4 3.83 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.01 111.089 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.71 82.61 1.73 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 174.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.308 -0.853 . . . . 1.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.869 0.366 . . . . 1.0 111.205 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p -96.28 41.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.61 34.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.66 29.83 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 14.2 t -116.46 144.68 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -103.89 34.82 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.1 mt -130.75 142.53 50.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -60.9 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.94 -25.45 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -88.06 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.95 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.69 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.732 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.8 -1.95 31.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.543 0.211 . . . . 0.0 111.515 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.46 30.32 16.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.14 112.15 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 t -73.98 -50.18 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.73 91.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -36.44 72.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.19 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.01 110.756 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ttt -47.15 -44.79 22.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.672 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 t -56.71 -25.18 53.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.44 3.72 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.01 111.074 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.65 32.22 1.3 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.68 143.94 39.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 1.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.875 0.369 . . . . 1.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -89.91 52.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.21 35.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.13 29.96 6.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.4 t -120.82 158.28 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -124.32 34.95 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 mt -127.21 146.65 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.89 -23.38 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.278 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -93.77 -65.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.52 -44.68 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.62 35.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.765 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.0 -0.24 12.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.593 0.235 . . . . 0.0 111.517 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.12 29.77 17.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.73 117.74 30.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 t -86.37 -63.2 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.77 93.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.599 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.0 t60 -75.16 -62.39 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.01 110.832 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.8 mtm -46.1 -44.91 16.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -56.91 -25.94 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.79 4.25 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.01 111.092 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.599 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 31.19 1.33 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.04 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 178.07 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.208 -0.901 . . . . 1.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.844 0.354 . . . . 1.0 111.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.15 61.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 tt -134.82 26.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.45 -30.62 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.8 t -58.45 162.48 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -125.06 32.9 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.45 155.68 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -78.6 -47.16 17.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.96 40.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -145.2 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.96 -49.35 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.776 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.48 53.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 111.502 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.02 30.66 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -153.5 113.84 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.39 -34.44 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.53 65.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.27 -38.01 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.23 -59.99 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.01 110.746 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 mtm -47.88 -44.54 29.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.707 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -56.62 -24.31 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.88 3.98 12.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.01 111.035 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 82.99 1.75 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 174.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.947 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.79 0.329 . . . . 1.0 111.246 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -137.58 50.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.04 0.448 . . . . 0.0 111.1 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -125.06 35.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.39 30.34 4.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.4 t -121.35 159.07 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.95 34.9 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.75 139.21 53.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -48.43 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.3 p -94.4 45.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -151.93 -58.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.05 -49.79 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.78 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.87 -0.42 34.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.604 0.24 . . . . 0.0 111.567 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 30.73 19.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -141.07 105.92 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -71.8 -49.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.19 90.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.83 71.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.019 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.2 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.01 110.741 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttm -47.24 -44.85 23.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.68 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -56.6 -24.8 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.06 12.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.01 111.027 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.67 31.22 1.32 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 178.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.174 -0.917 . . . . 1.0 110.869 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.874 0.369 . . . . 1.0 111.185 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.69 39.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 tt -110.37 -29.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.99 -26.42 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.8 t -56.9 130.09 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -98.02 35.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -128.67 -160.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -134.67 -46.1 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.65 -29.39 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 46.7 t -89.78 -52.07 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.89 95.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.22 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.773 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.62 -0.18 46.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.595 0.236 . . . . 0.0 111.6 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.22 36.74 25.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -150.14 109.73 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.24 -44.87 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.98 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -31.05 67.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.19 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.01 110.713 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.26 -44.94 16.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.639 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -56.91 -25.44 57.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.33 4.09 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.01 111.053 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 38.22 1.36 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 120.885 0.374 . . . . 0.0 110.929 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 164.87 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 1.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.82 0.343 . . . . 1.0 111.152 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -94.84 45.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -111.49 -29.48 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -28.69 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.9 t -58.52 159.69 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.75 34.25 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.06 148.51 43.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -66.68 -60.85 2.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.35 55.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -160.72 -59.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.53 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.742 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.3 -0.02 24.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.581 0.229 . . . . 0.0 111.593 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.86 29.63 19.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -130.83 155.39 46.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -118.03 -48.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.73 82.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.1 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.2 t60 -75.18 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.01 110.775 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttm -47.2 -44.63 22.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.646 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -56.69 -25.21 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.75 3.76 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.01 111.01 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.611 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.56 30.36 1.36 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.64 173.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.314 -0.85 . . . . 1.0 110.921 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.836 0.351 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -97.14 40.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -111.39 -25.29 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.32 -27.83 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 4.3 t -57.11 131.37 49.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -97.91 34.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.78 -160.39 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.71 -45.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -67.37 -29.16 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 49.0 t -91.31 -48.75 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.71 83.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.738 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.32 -0.53 49.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.633 0.254 . . . . 0.0 111.565 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.88 30.72 19.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 104.13 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.4 t -68.71 -44.11 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.63 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.73 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t60 -75.2 -62.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.01 110.715 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttm -46.12 -44.84 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.772 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -57.05 -25.64 58.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.528 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.08 4.23 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.01 111.108 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 52.85 1.33 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.014 0.435 . . . . 0.0 110.912 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.54 -178.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.203 -0.903 . . . . 1.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.806 0.336 . . . . 1.0 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -89.45 53.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -123.63 31.03 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.94 30.39 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.4 t -107.07 138.72 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -97.75 34.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.7 -159.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.69 -46.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.754 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.39 -28.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 43.3 t -85.72 -42.79 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.08 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.63 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.746 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.63 -0.83 39.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.541 0.21 . . . . 0.0 111.534 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.39 30.67 18.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -141.36 107.0 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.8 -49.39 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.11 83.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.13 -35.35 69.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.5 t60 -75.15 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.01 110.782 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mmm -47.03 -44.87 20.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.728 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -56.65 -24.88 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.23 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.01 111.084 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.63 51.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.0 110.812 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -179.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 1.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.0 p . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 111.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -89.52 -38.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.57 -26.28 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 11' ' ' ALA . 17.6 t -55.89 116.06 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -98.21 31.31 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 mt -120.11 172.24 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.1 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.78 -35.97 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 22' ' ' HIS . 6.7 t -62.62 -58.32 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -70.63 -28.98 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.751 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.33 -4.78 17.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.665 0.269 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.66 6.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.465 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -136.8 76.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.43 . . . . 0.0 110.795 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.886 HG22 ' HB ' ' A' ' 2' ' ' VAL . 15.8 t -58.11 -56.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.03 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -84.76 -35.23 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' HA ' ' NE2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -75.28 -34.94 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mtt -46.52 -28.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.7 t -58.67 -47.22 85.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.374 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.6 p-80 -101.85 14.43 31.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.544 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' CB ' ' NE2' ' A' ' 19' ' ' HIS . 1.1 m -144.97 30.86 1.15 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.76 -169.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.182 -0.914 . . . . 1.0 110.838 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.957 0.408 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -109.74 -25.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.191 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.1 t -59.11 160.78 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -136.95 31.35 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.38 159.0 19.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.2 tttp -81.01 -48.34 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.2 p -91.91 49.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -156.49 -66.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -29.23 60.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.14 6.6 25.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.695 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.97 0.06 54.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.615 0.245 . . . . 0.0 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.18 31.0 20.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 t-20 -114.18 141.11 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.12 -65.3 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.8 t60 -75.09 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.82 -44.81 14.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.706 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.0 t -57.3 -25.86 59.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.62 4.07 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 84.32 1.79 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 160.34 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 1.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.992 0.425 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.4 tp -111.19 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.66 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.575 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -60.24 155.97 16.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -125.17 30.52 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.745 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.1 mt -112.11 165.55 12.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.2 ttmt -94.92 -30.67 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 p -93.63 -29.35 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 6.5 t -88.52 -57.02 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.81 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.6 35.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.76 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.95 -0.81 53.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.683 0.278 . . . . 0.0 111.587 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.52 31.12 19.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 4.9 t-20 -138.18 127.18 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.84 -50.92 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.37 87.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.65 -33.42 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 23' ' ' CYS . 1.8 t-80 -75.13 -61.59 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mmt -46.33 -44.97 17.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.9 t -57.13 -25.53 59.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.69 3.82 13.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 1.3 m -143.68 82.2 1.72 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.996 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 160.95 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.99 0.424 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 tp -110.15 -29.28 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.25 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.6 t -60.65 162.27 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.99 33.86 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 9.9 mt -125.78 148.8 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 mtmt -73.45 -60.33 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.691 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.8 p -58.99 -24.26 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -95.04 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -68.77 -45.03 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.852 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -115.11 0.5 13.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.564 0.221 . . . . 0.0 111.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.82 32.0 21.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.471 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 1.3 t-20 -123.0 130.28 52.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.82 -63.35 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.55 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.9 t60 -75.06 -62.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.789 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.3 mtp -46.01 -44.64 15.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.661 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.8 t -57.23 -25.69 59.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.557 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.01 4.17 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.55 34.68 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 171.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 2' ' ' VAL . 11.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.996 0.427 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -111.55 -30.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.6 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.0 t -59.81 159.21 9.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -127.7 31.86 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.2 mt -122.33 148.81 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.5 mtmm -73.49 -63.61 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.828 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.6 p -56.98 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.586 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -95.13 -66.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.232 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -65.15 -40.69 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.493 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.35 15.36 4.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.028 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.92 -1.09 53.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.562 0.22 . . . . 0.0 111.53 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.42 30.43 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 111.242 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.814 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.4 m120 -118.54 122.92 43.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.42 -59.5 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.57 95.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -59.57 -30.27 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.0 -62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -45.73 -44.8 14.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.702 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 18' ' ' ALA . 10.9 t -57.51 -26.14 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -114.95 3.83 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.846 0.355 . . . . 0.0 110.999 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 172.38 5.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.66 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.969 0.414 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -111.6 -31.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.39 68.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.3 t -59.18 160.6 6.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.55 33.46 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 mt -116.28 151.56 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -57.53 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 9' ' ' VAL . 10.5 p -90.47 51.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -158.61 -57.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.08 -52.75 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.691 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.73 0.37 30.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.623 0.249 . . . . 0.0 111.615 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.61 20.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.15 134.48 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.02 -51.22 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.38 88.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.1 -33.72 69.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t60 -75.17 -61.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.794 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttt -46.46 -44.95 17.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.695 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -56.6 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.28 3.9 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.043 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.57 30.98 1.33 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.45 152.49 17.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.845 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.4 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.49 30.69 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.71 -31.03 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.84 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -59.51 163.27 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -125.07 35.07 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.7 mt -127.21 149.27 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -73.45 -58.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.74 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.0 p -63.57 -23.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.279 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -93.17 -61.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.042 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -44.98 44.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.65 35.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -111.54 -0.49 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.527 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.78 30.98 19.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 111.189 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.2 t-20 -130.24 123.18 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' CG1' ' A' ' 2' ' ' VAL . 21.7 t -89.55 -54.39 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.98 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.05 -35.21 71.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.605 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.3 t60 -75.17 -61.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 ttm -46.65 -44.95 18.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -56.88 -25.31 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.059 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.21 3.84 13.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.605 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 32.86 1.29 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.95 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 152.32 21.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.268 -0.872 . . . . 1.0 110.936 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.552 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.2 p . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.986 0.422 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 tt -121.44 28.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.32 -30.31 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.7 t -58.7 162.49 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -129.17 31.63 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.61 154.75 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -60.22 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.4 p -88.14 54.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.5 t -162.51 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -59.91 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.61 35.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.697 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.91 -0.11 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.577 0.227 . . . . 0.0 111.589 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.97 20.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.6 t-20 -141.9 108.66 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.4 t -76.14 -48.23 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.594 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.3 -36.78 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.04 -60.43 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.21 -44.82 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.694 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -56.87 -24.74 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.93 3.86 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.604 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 31.02 1.33 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.851 0.358 . . . . 0.0 111.009 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 171.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.212 -0.899 . . . . 1.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.917 0.389 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -120.47 29.45 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.07 -30.35 7.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -58.51 161.29 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -120.31 35.01 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 8.4 mt -133.03 144.37 50.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 mtmp? -71.52 -57.72 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.753 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.2 p -59.14 -27.87 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.33 -66.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.08 -47.09 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.746 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -98.95 -1.71 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.623 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.54 30.42 17.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 6.1 t-20 -145.86 107.39 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.588 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.1 t -68.95 -47.68 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.57 91.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.6 -37.19 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.15 -60.42 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -47.24 -44.76 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.713 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.5 t -56.81 -24.59 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 3.94 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.608 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.6 30.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.045 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 168.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 16' ' ' VAL . 11.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.021 0.439 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt -124.66 30.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.83 -30.36 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.202 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.4 t -58.41 160.98 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.37 35.1 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.4 mt -131.05 164.41 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 14.7 mtmm -88.96 -59.0 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.767 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.3 p -60.34 -27.31 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -88.8 -65.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.0 -47.34 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.74 35.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.738 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -97.03 -1.3 45.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 0.0 111.623 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.04 30.38 18.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 7.3 t-20 -148.65 112.39 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 2' ' ' VAL . 17.3 t -72.55 -43.79 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -47.04 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -56.63 -37.44 70.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.17 -60.36 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mtt -47.46 -44.73 25.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -56.55 -24.54 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.528 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.59 4.06 12.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 82.07 1.72 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.999 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.17 10.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.224 -0.893 . . . . 1.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.745 ' HB ' HG22 ' A' ' 16' ' ' VAL . 10.2 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -130.24 28.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 -30.54 7.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.75 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.4 t -58.58 158.35 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -115.27 33.01 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 14.7 mt -129.07 142.79 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.9 mttt -70.45 -58.17 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.0 p -61.3 -28.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -87.11 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.96 -48.08 75.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.822 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -95.0 -1.23 52.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.3 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.79 30.57 17.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 t-20 -152.39 109.08 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.745 HG22 ' HB ' ' A' ' 2' ' ' VAL . 26.7 t -68.69 -43.32 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.16 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t60 -75.07 -59.95 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 tpp -47.49 -44.61 25.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.748 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.8 -24.66 52.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.0 3.73 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.53 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 179.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 11' ' ' ALA . 14.4 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.926 0.393 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 tt -110.37 -29.66 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -27.71 64.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.765 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.7 t -57.68 161.31 3.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 41.1 p90 -111.21 -19.42 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.309 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HG ' ' CE1' ' A' ' 6' ' ' PHE . 22.2 mt -84.89 136.11 33.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.04 -52.15 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.75 -28.5 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.578 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 6.3 t -88.29 -57.54 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -62.29 -46.34 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.59 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.757 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.2 -2.3 46.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.534 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.62 30.46 17.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.772 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.1 t-20 -144.04 107.27 4.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.88 -44.65 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.23 82.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.49 -35.35 70.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.18 -61.26 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.715 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttm -46.35 -45.07 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.674 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -57.04 -25.76 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.31 . . . . 0.0 111.105 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.578 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.4 3.83 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.71 82.61 1.73 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 174.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.308 -0.853 . . . . 1.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.627 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.5 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.989 0.423 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.61 34.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.66 29.83 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 14.2 t -116.46 144.68 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -103.89 34.82 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 22.1 mt -130.75 142.53 50.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -74.15 -60.9 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.4 p -58.94 -25.45 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -88.06 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -61.38 -44.95 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.69 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.732 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -101.8 -1.95 31.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.543 0.211 . . . . 0.0 111.515 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.46 30.32 16.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.1 t-20 -141.14 112.15 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.9 t -73.98 -50.18 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.73 91.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.82 -36.44 72.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.19 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ttt -47.15 -44.79 22.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.672 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.4 t -56.71 -25.18 53.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.44 3.72 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.65 32.22 1.3 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.68 143.94 39.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 1.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.954 0.407 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.21 35.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.13 29.96 6.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.4 t -120.82 158.28 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -124.32 34.95 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.8 mt -127.21 146.65 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.0 mtmt -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.704 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.5 p -60.89 -23.38 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.278 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.592 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -93.77 -65.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.81 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -69.52 -44.68 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.765 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -117.0 -0.24 12.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.593 0.235 . . . . 0.0 111.517 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.12 29.77 17.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 m120 -117.73 117.74 30.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' CG1' ' A' ' 2' ' ' VAL . 27.8 t -86.37 -63.2 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.77 93.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.847 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.76 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.403 ' NE2' ' CB ' ' A' ' 23' ' ' CYS . 2.0 t-80 -75.16 -62.39 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.8 mtm -46.1 -44.91 16.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.2 t -56.91 -25.94 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.79 4.25 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' CB ' ' NE2' ' A' ' 19' ' ' HIS . 1.3 m -143.59 31.19 1.33 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.04 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 178.07 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.208 -0.901 . . . . 1.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 tt -134.82 26.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.45 -30.62 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.8 t -58.45 162.48 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -125.06 32.9 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.45 155.68 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -78.6 -47.16 17.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.8 p -96.96 40.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -145.2 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.815 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.96 -49.35 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.776 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.48 53.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 111.502 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.02 30.66 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.5 113.84 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 2' ' ' VAL . 16.6 t -74.39 -34.44 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.53 65.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 21' ' ' THR . . . -55.27 -38.01 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.23 -59.99 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 mtm -47.88 -44.54 29.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.707 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.62 -24.31 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.88 3.98 12.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 82.99 1.75 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 174.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.947 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.04 0.448 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -125.06 35.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.39 30.34 4.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 9.4 t -121.35 159.07 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.95 34.9 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.75 139.21 53.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -48.43 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 9' ' ' VAL . 13.3 p -94.4 45.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -151.93 -58.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.05 -49.79 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.78 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.87 -0.42 34.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.604 0.24 . . . . 0.0 111.567 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 30.73 19.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.3 t-20 -141.07 105.92 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.8 t -71.8 -49.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.19 90.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.28 -36.83 71.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.2 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttm -47.24 -44.85 23.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.68 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -56.6 -24.8 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.06 12.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.67 31.22 1.32 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 178.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.174 -0.917 . . . . 1.0 110.869 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 tt -110.37 -29.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.99 -26.42 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.8 t -56.9 130.09 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -98.02 35.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -128.67 -160.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 mttt -134.67 -46.1 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.65 -29.39 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 46.7 t -89.78 -52.07 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.65 -43.89 95.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.22 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.773 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.62 -0.18 46.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.595 0.236 . . . . 0.0 111.6 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.22 36.74 25.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -150.14 109.73 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.24 -44.87 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.98 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.38 -31.05 67.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' NE2' ' CB ' ' A' ' 23' ' ' CYS . 2.0 t-80 -75.19 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.713 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.26 -44.94 16.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.639 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.7 t -56.91 -25.44 57.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.552 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.33 4.09 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' CB ' ' NE2' ' A' ' 19' ' ' HIS . 1.3 m -143.59 38.22 1.36 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 120.885 0.374 . . . . 0.0 110.929 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 164.87 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 1.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.6 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.983 0.42 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -111.49 -29.48 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -28.69 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.9 t -58.52 159.69 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.75 34.25 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.06 148.51 43.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -66.68 -60.85 2.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 9' ' ' VAL . 11.3 p -86.35 55.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -160.72 -59.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -44.53 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.742 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.3 -0.02 24.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.581 0.229 . . . . 0.0 111.593 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.86 29.63 19.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -130.83 155.39 46.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -118.03 -48.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.73 82.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.578 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.15 -35.1 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.2 t60 -75.18 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttm -47.2 -44.63 22.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.646 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.7 t -56.69 -25.21 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.75 3.76 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.611 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.56 30.36 1.36 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.64 173.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.314 -0.85 . . . . 1.0 110.921 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.996 0.427 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -111.39 -25.29 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.32 -27.83 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.811 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -57.11 131.37 49.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -97.91 34.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.78 -160.39 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -134.71 -45.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -67.37 -29.16 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 49.0 t -91.31 -48.75 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -66.71 -43.71 83.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.72 35.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.738 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.32 -0.53 49.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.633 0.254 . . . . 0.0 111.565 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.88 30.72 19.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.3 t-20 -144.46 104.13 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.4 t -68.71 -44.11 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.63 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.63 -31.73 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' NE2' ' CB ' ' A' ' 23' ' ' CYS . 2.1 t-80 -75.2 -62.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttm -46.12 -44.84 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.772 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.4 t -57.05 -25.64 58.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.08 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.08 4.23 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' CB ' ' NE2' ' A' ' 19' ' ' HIS . 1.3 m -143.58 52.85 1.33 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.014 0.435 . . . . 0.0 110.912 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.54 -178.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.203 -0.903 . . . . 1.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.96 0.409 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -123.63 31.03 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.94 30.39 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.873 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.4 t -107.07 138.72 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -97.75 34.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.7 -159.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.3 mtmt -134.69 -46.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.754 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.39 -28.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 43.3 t -85.72 -42.79 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.873 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -41.08 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.746 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.63 -0.83 39.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.541 0.21 . . . . 0.0 111.534 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.39 30.67 18.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -141.36 107.0 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.8 -49.39 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.11 83.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.13 -35.35 69.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.41 ' NE2' ' CB ' ' A' ' 23' ' ' CYS . 1.9 t-80 -75.15 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mmm -47.03 -44.87 20.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.728 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.8 t -56.65 -24.88 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.15 4.23 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' CB ' ' NE2' ' A' ' 19' ' ' HIS . 1.3 m -143.63 51.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.0 110.812 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -179.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 1.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.0 p 43.99 31.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -89.52 -38.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.57 -26.28 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 11' ' ' ALA . 17.6 t -55.89 116.06 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -98.21 31.31 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 mt -120.11 172.24 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.1 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.78 -35.97 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 22' ' ' HIS . 6.7 t -62.62 -58.32 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -70.63 -28.98 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.751 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.33 -4.78 17.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.665 0.269 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.66 6.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.465 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -136.8 76.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.43 . . . . 0.0 110.795 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.886 HG22 ' HB ' ' A' ' 2' ' ' VAL . 15.8 t -58.11 -56.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.03 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -84.76 -35.23 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.28 -34.94 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mtt -46.52 -28.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.7 t -58.67 -47.22 85.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.374 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.6 p-80 -101.85 14.43 31.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.544 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.1 m -144.97 30.86 1.15 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.76 -169.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.182 -0.914 . . . . 1.0 110.838 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.855 0.36 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p -88.83 53.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -109.74 -25.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.191 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.1 t -59.11 160.78 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -136.95 31.35 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.38 159.0 19.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.2 tttp -81.01 -48.34 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.2 p -91.91 49.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.8 t -156.49 -66.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -29.23 60.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.14 6.6 25.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.695 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.97 0.06 54.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.615 0.245 . . . . 0.0 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.18 31.0 20.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 t-20 -114.18 141.11 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.12 -65.3 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.8 t60 -75.09 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.82 -44.81 14.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.706 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.0 t -57.3 -25.86 59.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.62 4.07 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 84.32 1.79 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 160.34 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 1.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.825 0.345 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.7 p -91.21 51.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.4 tp -111.19 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.66 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.575 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -60.24 155.97 16.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -125.17 30.52 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.745 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.1 mt -112.11 165.55 12.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.2 ttmt -94.92 -30.67 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 p -93.63 -29.35 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 6.5 t -88.52 -57.02 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.81 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.6 35.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.76 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.95 -0.81 53.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.683 0.278 . . . . 0.0 111.587 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.52 31.12 19.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 4.9 t-20 -138.18 127.18 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.84 -50.92 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.37 87.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.65 -33.42 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.4 t60 -75.13 -61.59 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mmt -46.33 -44.97 17.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.9 t -57.13 -25.53 59.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.69 3.82 13.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.68 82.2 1.72 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.996 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 160.95 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.9 p -90.99 51.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 tp -110.15 -29.28 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.25 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.6 t -60.65 162.27 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.99 33.86 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 9.9 mt -125.78 148.8 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 mtmt -73.45 -60.33 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.691 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.8 p -58.99 -24.26 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.6 t -95.04 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -68.77 -45.03 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.852 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -115.11 0.5 13.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.564 0.221 . . . . 0.0 111.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.82 32.0 21.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.471 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 1.3 t-20 -123.0 130.28 52.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.82 -63.35 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.55 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.9 t60 -75.06 -62.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.789 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.3 mtp -46.01 -44.64 15.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.661 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.8 t -57.23 -25.69 59.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.01 4.17 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.55 34.68 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 171.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 2' ' ' VAL . 11.8 p -82.29 59.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -111.55 -30.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.6 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.0 t -59.81 159.21 9.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -127.7 31.86 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.2 mt -122.33 148.81 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.5 mtmm -73.49 -63.61 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.828 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.6 p -56.98 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.56 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.7 t -95.13 -66.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.232 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -65.15 -40.69 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.493 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.35 15.36 4.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.028 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.92 -1.09 53.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.562 0.22 . . . . 0.0 111.53 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.42 30.43 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 111.242 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.814 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.4 m120 -118.54 122.92 43.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.42 -59.5 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.57 95.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -59.57 -30.27 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.0 -62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -45.73 -44.8 14.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.702 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 18' ' ' ALA . 10.9 t -57.51 -26.14 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.56 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -114.95 3.83 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.846 0.355 . . . . 0.0 110.999 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 172.38 5.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.847 0.356 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.66 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -94.01 46.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -111.6 -31.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.39 68.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.3 t -59.18 160.6 6.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.55 33.46 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 mt -116.28 151.56 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -57.53 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 9' ' ' VAL . 10.5 p -90.47 51.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.6 t -158.61 -57.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.08 -52.75 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.691 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.73 0.37 30.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.623 0.249 . . . . 0.0 111.615 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.61 20.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.15 134.48 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.02 -51.22 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.38 88.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.1 -33.72 69.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t60 -75.17 -61.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.794 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttt -46.46 -44.95 17.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.695 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -56.6 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.28 3.9 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.043 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.57 30.98 1.33 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.45 152.49 17.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.845 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.4 p -92.94 48.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.055 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.49 30.69 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.71 -31.03 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.84 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -59.51 163.27 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -125.07 35.07 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.7 mt -127.21 149.27 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -73.45 -58.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.74 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.0 p -63.57 -23.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.279 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -93.17 -61.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.042 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -44.98 44.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.65 35.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -111.54 -0.49 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.527 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.78 30.98 19.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 111.189 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.2 t-20 -130.24 123.18 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' CG1' ' A' ' 2' ' ' VAL . 21.7 t -89.55 -54.39 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.98 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.05 -35.21 71.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.605 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.3 t60 -75.17 -61.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 ttm -46.65 -44.95 18.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -56.88 -25.31 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.059 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.21 3.84 13.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.605 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 32.86 1.29 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.95 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 152.32 21.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.268 -0.872 . . . . 1.0 110.936 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.552 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.2 p -92.06 49.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 tt -121.44 28.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.32 -30.31 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.7 t -58.7 162.49 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -129.17 31.63 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.61 154.75 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -60.22 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.4 p -88.14 54.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.5 t -162.51 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -59.91 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.61 35.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.697 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.91 -0.11 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.577 0.227 . . . . 0.0 111.589 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.97 20.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.6 t-20 -141.9 108.66 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.4 t -76.14 -48.23 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.594 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.3 -36.78 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.04 -60.43 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.21 -44.82 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.694 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -56.87 -24.74 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.93 3.86 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.604 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 31.02 1.33 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.851 0.358 . . . . 0.0 111.009 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 171.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.212 -0.899 . . . . 1.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.47 ' HB3' HG22 ' A' ' 3' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p -96.75 40.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG22 ' HB3' ' A' ' 1' ' ' ARG . 2.9 tt -120.47 29.45 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.07 -30.35 7.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -58.51 161.29 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -120.31 35.01 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 8.4 mt -133.03 144.37 50.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 mtmp? -71.52 -57.72 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.753 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.2 p -59.14 -27.87 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.4 t -90.33 -66.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.08 -47.09 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.746 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -98.95 -1.71 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.623 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.54 30.42 17.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 6.1 t-20 -145.86 107.39 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.588 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.1 t -68.95 -47.68 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.57 91.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.6 -37.19 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.15 -60.42 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -47.24 -44.76 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.713 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.5 t -56.81 -24.59 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.16 3.94 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.608 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.6 30.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.045 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 168.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.515 ' HG2' HG22 ' A' ' 3' ' ' ILE . 2.6 tpt180 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.758 0.313 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 16' ' ' VAL . 11.2 p -94.72 47.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 1' ' ' ARG . 5.7 tt -124.66 30.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.83 -30.36 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.202 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.4 t -58.41 160.98 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.37 35.1 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.4 mt -131.05 164.41 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 14.7 mtmm -88.96 -59.0 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.767 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.3 p -60.34 -27.31 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.7 t -88.8 -65.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.0 -47.34 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.74 35.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.738 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -97.03 -1.3 45.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 0.0 111.623 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.04 30.38 18.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 7.3 t-20 -148.65 112.39 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 2' ' ' VAL . 17.3 t -72.55 -43.79 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -47.04 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -56.63 -37.44 70.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.17 -60.36 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mtt -47.46 -44.73 25.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -56.55 -24.54 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.59 4.06 12.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 82.07 1.72 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.999 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.17 10.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.224 -0.893 . . . . 1.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.745 ' HB ' HG22 ' A' ' 16' ' ' VAL . 10.2 p -95.07 52.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -130.24 28.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 -30.54 7.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.4 t -58.58 158.35 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -115.27 33.01 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 14.7 mt -129.07 142.79 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.9 mttt -70.45 -58.17 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.0 p -61.3 -28.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.2 t -87.11 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.96 -48.08 75.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.822 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -95.0 -1.23 52.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.3 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.79 30.57 17.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 t-20 -152.39 109.08 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.745 HG22 ' HB ' ' A' ' 2' ' ' VAL . 26.7 t -68.69 -43.32 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.16 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t60 -75.07 -59.95 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 tpp -47.49 -44.61 25.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.748 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.8 -24.66 52.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.0 3.73 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.53 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 179.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.801 0.334 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 11' ' ' ALA . 14.4 p -96.07 43.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 tt -110.37 -29.66 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -27.71 64.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.765 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.7 t -57.68 161.31 3.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 41.1 p90 -111.21 -19.42 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.309 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HG ' ' CE1' ' A' ' 6' ' ' PHE . 22.2 mt -84.89 136.11 33.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.04 -52.15 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.75 -28.5 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t -88.29 -57.54 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -62.29 -46.34 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.59 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.757 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.2 -2.3 46.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.534 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.62 30.46 17.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.772 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.1 t-20 -144.04 107.27 4.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.88 -44.65 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.23 82.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.49 -35.35 70.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.18 -61.26 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.715 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttm -46.35 -45.07 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.674 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -57.04 -25.76 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.31 . . . . 0.0 111.105 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.4 3.83 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.71 82.61 1.73 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 174.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.308 -0.853 . . . . 1.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.627 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.5 p -96.28 41.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.61 34.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.66 29.83 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 14.2 t -116.46 144.68 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -103.89 34.82 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 22.1 mt -130.75 142.53 50.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -74.15 -60.9 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.4 p -58.94 -25.45 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 2.5 t -88.06 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -61.38 -44.95 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.69 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.732 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -101.8 -1.95 31.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.543 0.211 . . . . 0.0 111.515 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.46 30.32 16.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.1 t-20 -141.14 112.15 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.9 t -73.98 -50.18 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.73 91.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.82 -36.44 72.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.19 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ttt -47.15 -44.79 22.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.672 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.4 t -56.71 -25.18 53.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.44 3.72 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.65 32.22 1.3 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.68 143.94 39.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 1.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p -89.91 52.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.21 35.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.13 29.96 6.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.4 t -120.82 158.28 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -124.32 34.95 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.8 mt -127.21 146.65 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.0 mtmt -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.704 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.5 p -60.89 -23.38 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.278 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.8 t -93.77 -65.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.81 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -69.52 -44.68 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.765 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -117.0 -0.24 12.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.593 0.235 . . . . 0.0 111.517 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.12 29.77 17.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 m120 -117.73 117.74 30.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' CG1' ' A' ' 2' ' ' VAL . 27.8 t -86.37 -63.2 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.77 93.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.847 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.76 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.599 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.0 t60 -75.16 -62.39 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.8 mtm -46.1 -44.91 16.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.2 t -56.91 -25.94 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.79 4.25 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.599 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 31.19 1.33 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.04 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 178.07 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.208 -0.901 . . . . 1.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.844 0.354 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.6 p -79.15 61.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 tt -134.82 26.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.45 -30.62 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.8 t -58.45 162.48 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -125.06 32.9 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.45 155.68 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -78.6 -47.16 17.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.8 p -96.96 40.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.549 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.2 t -145.2 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.815 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.96 -49.35 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.776 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.48 53.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 111.502 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.02 30.66 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.5 113.84 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 2' ' ' VAL . 16.6 t -74.39 -34.44 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.53 65.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 21' ' ' THR . . . -55.27 -38.01 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.23 -59.99 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 mtm -47.88 -44.54 29.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.707 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.62 -24.31 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.88 3.98 12.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 82.99 1.75 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 174.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.947 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.79 0.329 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.1 p -137.58 50.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.04 0.448 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -125.06 35.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.39 30.34 4.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 9.4 t -121.35 159.07 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.95 34.9 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.75 139.21 53.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -48.43 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 9' ' ' VAL . 13.3 p -94.4 45.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.7 t -151.93 -58.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.05 -49.79 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.78 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.87 -0.42 34.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.604 0.24 . . . . 0.0 111.567 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 30.73 19.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.3 t-20 -141.07 105.92 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.8 t -71.8 -49.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.19 90.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.28 -36.83 71.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.2 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttm -47.24 -44.85 23.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.68 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -56.6 -24.8 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.15 4.06 12.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.67 31.22 1.32 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 178.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.174 -0.917 . . . . 1.0 110.869 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.874 0.369 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.8 p -97.69 39.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 tt -110.37 -29.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.99 -26.42 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.8 t -56.9 130.09 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -98.02 35.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -128.67 -160.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 mttt -134.67 -46.1 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.65 -29.39 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 46.7 t -89.78 -52.07 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.65 -43.89 95.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.22 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.773 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.62 -0.18 46.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.595 0.236 . . . . 0.0 111.6 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.22 36.74 25.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -150.14 109.73 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.24 -44.87 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.98 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.38 -31.05 67.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.19 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.713 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.26 -44.94 16.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.639 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.7 t -56.91 -25.44 57.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.33 4.09 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 38.22 1.36 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 120.885 0.374 . . . . 0.0 110.929 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 164.87 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 1.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.6 p -94.84 45.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -111.49 -29.48 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -28.69 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.9 t -58.52 159.69 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.75 34.25 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.06 148.51 43.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -66.68 -60.85 2.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 9' ' ' VAL . 11.3 p -86.35 55.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 1.8 t -160.72 -59.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -44.53 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.742 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.3 -0.02 24.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.581 0.229 . . . . 0.0 111.593 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.86 29.63 19.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -130.83 155.39 46.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -118.03 -48.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.73 82.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.578 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.15 -35.1 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.2 t60 -75.18 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttm -47.2 -44.63 22.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.646 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.7 t -56.69 -25.21 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.75 3.76 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.611 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.56 30.36 1.36 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.64 173.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.314 -0.85 . . . . 1.0 110.921 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.836 0.351 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p -97.14 40.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -111.39 -25.29 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.32 -27.83 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.811 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -57.11 131.37 49.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -97.91 34.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.78 -160.39 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -134.71 -45.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -67.37 -29.16 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 49.0 t -91.31 -48.75 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -66.71 -43.71 83.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.72 35.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.738 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.32 -0.53 49.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.633 0.254 . . . . 0.0 111.565 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.88 30.72 19.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.3 t-20 -144.46 104.13 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.4 t -68.71 -44.11 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.63 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.63 -31.73 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t60 -75.2 -62.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttm -46.12 -44.84 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.772 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.4 t -57.05 -25.64 58.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.08 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.08 4.23 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 52.85 1.33 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.014 0.435 . . . . 0.0 110.912 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.54 -178.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.203 -0.903 . . . . 1.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.806 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.6 p -89.45 53.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -123.63 31.03 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.94 30.39 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.873 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.4 t -107.07 138.72 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -97.75 34.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.7 -159.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.3 mtmt -134.69 -46.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.754 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.39 -28.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 43.3 t -85.72 -42.79 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.873 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -41.08 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.746 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.63 -0.83 39.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.541 0.21 . . . . 0.0 111.534 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.39 30.67 18.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -141.36 107.0 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.8 -49.39 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.11 83.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.13 -35.35 69.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.5 t60 -75.15 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mmm -47.03 -44.87 20.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.728 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.8 t -56.65 -24.88 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.15 4.23 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.63 51.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.0 110.812 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -179.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 1.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.0 p . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 111.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -89.52 -38.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.57 -26.28 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 11' ' ' ALA . 17.6 t -55.89 116.06 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -98.21 31.31 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 mt -120.11 172.24 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.1 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.78 -35.97 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 22' ' ' HIS . 6.7 t -62.62 -58.32 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -70.63 -28.98 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.751 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.33 -4.78 17.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.665 0.269 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.66 6.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.465 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -136.8 76.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.43 . . . . 0.0 110.795 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.886 HG22 ' HB ' ' A' ' 2' ' ' VAL . 15.8 t -58.11 -56.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.03 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -84.76 -35.23 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.28 -34.94 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mtt -46.52 -28.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.7 t -58.67 -47.22 85.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.374 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.6 p-80 -101.85 14.43 31.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.544 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.1 m -144.97 30.86 1.15 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.76 -169.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.182 -0.914 . . . . 1.0 110.838 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.957 0.408 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -109.74 -25.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.191 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.1 t -59.11 160.78 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -136.95 31.35 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.38 159.0 19.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.2 tttp -81.01 -48.34 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.2 p -91.91 49.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -156.49 -66.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -29.23 60.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.14 6.6 25.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.695 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.97 0.06 54.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.615 0.245 . . . . 0.0 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.18 31.0 20.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 t-20 -114.18 141.11 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.12 -65.3 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.8 t60 -75.09 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.82 -44.81 14.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.706 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.0 t -57.3 -25.86 59.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.62 4.07 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 84.32 1.79 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 160.34 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 1.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.992 0.425 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.4 tp -111.19 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.66 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.575 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -60.24 155.97 16.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -125.17 30.52 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.745 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.1 mt -112.11 165.55 12.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.2 ttmt -94.92 -30.67 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 p -93.63 -29.35 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.644 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 6.5 t -88.52 -57.02 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.81 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.6 35.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.76 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.95 -0.81 53.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.683 0.278 . . . . 0.0 111.587 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.52 31.12 19.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 4.9 t-20 -138.18 127.18 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.84 -50.92 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.37 87.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.65 -33.42 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.4 t60 -75.13 -61.59 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mmt -46.33 -44.97 17.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.9 t -57.13 -25.53 59.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.644 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.69 3.82 13.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.68 82.2 1.72 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.996 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 160.95 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.99 0.424 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 tp -110.15 -29.28 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.25 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.6 t -60.65 162.27 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.99 33.86 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 9.9 mt -125.78 148.8 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 mtmt -73.45 -60.33 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.691 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.8 p -58.99 -24.26 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -95.04 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -68.77 -45.03 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.852 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -115.11 0.5 13.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.564 0.221 . . . . 0.0 111.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.82 32.0 21.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.471 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -123.0 130.28 52.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.82 -63.35 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.55 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.9 t60 -75.06 -62.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.789 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.3 mtp -46.01 -44.64 15.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.661 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.8 t -57.23 -25.69 59.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.557 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.01 4.17 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.55 34.68 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 171.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.996 0.427 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -111.55 -30.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.6 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.0 t -59.81 159.21 9.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -127.7 31.86 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.2 mt -122.33 148.81 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.5 mtmm -73.49 -63.61 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.828 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.6 p -56.98 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.586 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -95.13 -66.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.232 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -65.15 -40.69 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.493 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.35 15.36 4.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.028 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.92 -1.09 53.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.562 0.22 . . . . 0.0 111.53 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.42 30.43 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 111.242 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.814 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.4 m120 -118.54 122.92 43.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.42 -59.5 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.57 95.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -59.57 -30.27 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.0 -62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -45.73 -44.8 14.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.702 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 18' ' ' ALA . 10.9 t -57.51 -26.14 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -114.95 3.83 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.846 0.355 . . . . 0.0 110.999 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 172.38 5.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.66 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.969 0.414 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -111.6 -31.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.39 68.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.3 t -59.18 160.6 6.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.55 33.46 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 mt -116.28 151.56 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -57.53 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 9' ' ' VAL . 10.5 p -90.47 51.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -158.61 -57.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.08 -52.75 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.691 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.73 0.37 30.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.623 0.249 . . . . 0.0 111.615 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.61 20.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.15 134.48 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.02 -51.22 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.38 88.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.1 -33.72 69.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t60 -75.17 -61.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.794 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttt -46.46 -44.95 17.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.695 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -56.6 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.28 3.9 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.043 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.57 30.98 1.33 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.45 152.49 17.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.845 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.4 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.49 30.69 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.71 -31.03 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.84 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -59.51 163.27 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -125.07 35.07 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.7 mt -127.21 149.27 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -73.45 -58.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.74 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.0 p -63.57 -23.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.279 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -93.17 -61.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.042 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -44.98 44.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.65 35.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -111.54 -0.49 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.527 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.78 30.98 19.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 111.189 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.2 t-20 -130.24 123.18 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' CG1' ' A' ' 2' ' ' VAL . 21.7 t -89.55 -54.39 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.98 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.05 -35.21 71.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.605 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.3 t60 -75.17 -61.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 ttm -46.65 -44.95 18.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -56.88 -25.31 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.059 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.21 3.84 13.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.605 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 32.86 1.29 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.95 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 152.32 21.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.268 -0.872 . . . . 1.0 110.936 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.552 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.2 p . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.986 0.422 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 tt -121.44 28.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.32 -30.31 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.7 t -58.7 162.49 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -129.17 31.63 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.61 154.75 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -60.22 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.4 p -88.14 54.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.5 t -162.51 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -59.91 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.61 35.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.697 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.91 -0.11 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.577 0.227 . . . . 0.0 111.589 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.97 20.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -141.9 108.66 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.4 t -76.14 -48.23 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.594 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.3 -36.78 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.04 -60.43 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.21 -44.82 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.694 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -56.87 -24.74 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.93 3.86 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.604 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 31.02 1.33 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.851 0.358 . . . . 0.0 111.009 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 171.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.212 -0.899 . . . . 1.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.917 0.389 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -120.47 29.45 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.07 -30.35 7.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -58.51 161.29 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -120.31 35.01 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 8.4 mt -133.03 144.37 50.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 mtmp? -71.52 -57.72 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.753 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.2 p -59.14 -27.87 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.33 -66.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.08 -47.09 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.746 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -98.95 -1.71 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.623 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.54 30.42 17.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 6.1 t-20 -145.86 107.39 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.588 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.1 t -68.95 -47.68 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.57 91.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.6 -37.19 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.15 -60.42 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -47.24 -44.76 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.713 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.5 t -56.81 -24.59 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 3.94 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.608 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.6 30.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.045 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 168.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 16' ' ' VAL . 11.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.021 0.439 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt -124.66 30.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.83 -30.36 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.202 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.4 t -58.41 160.98 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.37 35.1 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.4 mt -131.05 164.41 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 14.7 mtmm -88.96 -59.0 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.767 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.3 p -60.34 -27.31 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -88.8 -65.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.0 -47.34 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.74 35.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.738 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -97.03 -1.3 45.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 0.0 111.623 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.04 30.38 18.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 7.3 t-20 -148.65 112.39 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 2' ' ' VAL . 17.3 t -72.55 -43.79 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -47.04 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -56.63 -37.44 70.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.17 -60.36 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mtt -47.46 -44.73 25.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -56.55 -24.54 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.59 4.06 12.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 82.07 1.72 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.999 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.17 10.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.224 -0.893 . . . . 1.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.745 ' HB ' HG22 ' A' ' 16' ' ' VAL . 10.2 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -130.24 28.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 -30.54 7.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.75 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.4 t -58.58 158.35 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -115.27 33.01 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 14.7 mt -129.07 142.79 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.9 mttt -70.45 -58.17 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.0 p -61.3 -28.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -87.11 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.96 -48.08 75.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.822 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -95.0 -1.23 52.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.3 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.79 30.57 17.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 t-20 -152.39 109.08 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.745 HG22 ' HB ' ' A' ' 2' ' ' VAL . 26.7 t -68.69 -43.32 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.16 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t60 -75.07 -59.95 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 tpp -47.49 -44.61 25.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.748 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.8 -24.66 52.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.0 3.73 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.53 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 179.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 11' ' ' ALA . 14.4 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.926 0.393 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 tt -110.37 -29.66 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -27.71 64.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.765 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.7 t -57.68 161.31 3.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 41.1 p90 -111.21 -19.42 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.309 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HG ' ' CE1' ' A' ' 6' ' ' PHE . 22.2 mt -84.89 136.11 33.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.04 -52.15 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.75 -28.5 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.578 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 6.3 t -88.29 -57.54 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -62.29 -46.34 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.59 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.757 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.2 -2.3 46.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.534 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.62 30.46 17.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.772 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -144.04 107.27 4.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.88 -44.65 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.23 82.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.49 -35.35 70.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.18 -61.26 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.715 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttm -46.35 -45.07 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.674 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -57.04 -25.76 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.31 . . . . 0.0 111.105 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.578 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.4 3.83 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.71 82.61 1.73 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 174.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.308 -0.853 . . . . 1.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.627 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.5 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.989 0.423 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.61 34.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.66 29.83 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 14.2 t -116.46 144.68 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -103.89 34.82 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 22.1 mt -130.75 142.53 50.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -74.15 -60.9 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.4 p -58.94 -25.45 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -88.06 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -61.38 -44.95 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.69 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.732 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -101.8 -1.95 31.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.543 0.211 . . . . 0.0 111.515 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.46 30.32 16.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -141.14 112.15 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.9 t -73.98 -50.18 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.73 91.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.82 -36.44 72.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.19 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ttt -47.15 -44.79 22.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.672 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.4 t -56.71 -25.18 53.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.44 3.72 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.65 32.22 1.3 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.68 143.94 39.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 1.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.954 0.407 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.21 35.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.13 29.96 6.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.4 t -120.82 158.28 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -124.32 34.95 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.8 mt -127.21 146.65 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.0 mtmt -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.704 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.5 p -60.89 -23.38 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.278 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.592 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -93.77 -65.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.81 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -69.52 -44.68 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.765 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -117.0 -0.24 12.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.593 0.235 . . . . 0.0 111.517 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.12 29.77 17.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 m120 -117.73 117.74 30.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' CG1' ' A' ' 2' ' ' VAL . 27.8 t -86.37 -63.2 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.77 93.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.847 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.76 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.599 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.0 t60 -75.16 -62.39 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.8 mtm -46.1 -44.91 16.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.2 t -56.91 -25.94 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -115.79 4.25 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.599 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 31.19 1.33 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.04 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 178.07 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.208 -0.901 . . . . 1.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 2' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 tt -134.82 26.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.45 -30.62 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.8 t -58.45 162.48 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -125.06 32.9 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.45 155.68 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -78.6 -47.16 17.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.8 p -96.96 40.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -145.2 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.815 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.96 -49.35 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.776 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.48 53.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 111.502 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.02 30.66 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -153.5 113.84 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 2' ' ' VAL . 16.6 t -74.39 -34.44 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.53 65.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 21' ' ' THR . . . -55.27 -38.01 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.23 -59.99 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 mtm -47.88 -44.54 29.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.707 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.62 -24.31 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.88 3.98 12.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 82.99 1.75 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 174.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.947 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.04 0.448 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -125.06 35.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.39 30.34 4.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 9.4 t -121.35 159.07 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.95 34.9 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.75 139.21 53.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -48.43 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 9' ' ' VAL . 13.3 p -94.4 45.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -151.93 -58.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.05 -49.79 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.78 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.87 -0.42 34.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.604 0.24 . . . . 0.0 111.567 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 30.73 19.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.3 t-20 -141.07 105.92 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.8 t -71.8 -49.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.19 90.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.28 -36.83 71.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.2 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttm -47.24 -44.85 23.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.68 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -56.6 -24.8 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.06 12.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.67 31.22 1.32 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 178.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.174 -0.917 . . . . 1.0 110.869 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 tt -110.37 -29.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.99 -26.42 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.8 t -56.9 130.09 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -98.02 35.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -128.67 -160.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 mttt -134.67 -46.1 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.65 -29.39 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 46.7 t -89.78 -52.07 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.65 -43.89 95.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.22 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.773 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.62 -0.18 46.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.595 0.236 . . . . 0.0 111.6 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.22 36.74 25.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -150.14 109.73 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.24 -44.87 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.98 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.38 -31.05 67.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.19 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.713 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.26 -44.94 16.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.639 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.7 t -56.91 -25.44 57.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.662 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.33 4.09 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 38.22 1.36 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 120.885 0.374 . . . . 0.0 110.929 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 164.87 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 1.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.6 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.983 0.42 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -111.49 -29.48 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -28.69 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.9 t -58.52 159.69 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.75 34.25 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.06 148.51 43.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -66.68 -60.85 2.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 9' ' ' VAL . 11.3 p -86.35 55.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -160.72 -59.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -44.53 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.742 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.3 -0.02 24.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.581 0.229 . . . . 0.0 111.593 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.86 29.63 19.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -130.83 155.39 46.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -118.03 -48.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.73 82.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.578 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.15 -35.1 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.2 t60 -75.18 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttm -47.2 -44.63 22.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.646 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.7 t -56.69 -25.21 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.75 3.76 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.611 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.56 30.36 1.36 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.64 173.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.314 -0.85 . . . . 1.0 110.921 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.996 0.427 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -111.39 -25.29 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.32 -27.83 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.811 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -57.11 131.37 49.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -97.91 34.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.78 -160.39 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -134.71 -45.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -67.37 -29.16 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.683 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 49.0 t -91.31 -48.75 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -66.71 -43.71 83.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.72 35.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.738 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.32 -0.53 49.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.633 0.254 . . . . 0.0 111.565 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.88 30.72 19.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -144.46 104.13 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.4 t -68.71 -44.11 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.63 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.63 -31.73 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t60 -75.2 -62.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttm -46.12 -44.84 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.772 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.4 t -57.05 -25.64 58.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.08 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.683 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.08 4.23 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 52.85 1.33 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.014 0.435 . . . . 0.0 110.912 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.54 -178.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.203 -0.903 . . . . 1.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.96 0.409 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -123.63 31.03 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.94 30.39 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.873 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.4 t -107.07 138.72 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -97.75 34.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.7 -159.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.3 mtmt -134.69 -46.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.754 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.39 -28.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.661 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 43.3 t -85.72 -42.79 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.873 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -41.08 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.746 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.63 -0.83 39.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.541 0.21 . . . . 0.0 111.534 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.39 30.67 18.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -141.36 107.0 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.8 -49.39 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.11 83.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.13 -35.35 69.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.5 t60 -75.15 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mmm -47.03 -44.87 20.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.728 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.8 t -56.65 -24.88 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.661 ' CD2' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.15 4.23 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.63 51.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.0 110.812 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -179.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 1.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.0 p 43.99 31.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -89.52 -38.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.57 -26.28 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 11' ' ' ALA . 17.6 t -55.89 116.06 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -98.21 31.31 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 13.8 mt -120.11 172.24 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.1 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.78 -35.97 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 22' ' ' HIS . 6.7 t -62.62 -58.32 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -70.63 -28.98 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.751 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.33 -4.78 17.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.665 0.269 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.66 6.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.465 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -136.8 76.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.43 . . . . 0.0 110.795 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.886 HG22 ' HB ' ' A' ' 2' ' ' VAL . 15.8 t -58.11 -56.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.03 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -84.76 -35.23 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.28 -34.94 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mtt -46.52 -28.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.794 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.7 t -58.67 -47.22 85.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.374 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.6 p-80 -101.85 14.43 31.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.544 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.1 m -144.97 30.86 1.15 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.76 -169.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.182 -0.914 . . . . 1.0 110.838 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.855 0.36 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p -88.83 53.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -109.74 -25.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.191 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.1 t -59.11 160.78 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -136.95 31.35 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.38 159.0 19.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.2 tttp -81.01 -48.34 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.2 p -91.91 49.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -156.49 -66.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -29.23 60.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.14 6.6 25.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.695 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.97 0.06 54.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.615 0.245 . . . . 0.0 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.18 31.0 20.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 t-20 -114.18 141.11 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.12 -65.3 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.8 t60 -75.09 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.82 -44.81 14.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.706 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.0 t -57.3 -25.86 59.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.62 4.07 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 84.32 1.79 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 160.34 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 1.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.825 0.345 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.7 p -91.21 51.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.4 tp -111.19 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.66 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.575 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -60.24 155.97 16.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -125.17 30.52 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.745 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.1 mt -112.11 165.55 12.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.2 ttmt -94.92 -30.67 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 p -93.63 -29.35 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 6.5 t -88.52 -57.02 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.969 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.81 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.6 35.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.76 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.95 -0.81 53.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.683 0.278 . . . . 0.0 111.587 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.52 31.12 19.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 4.9 t-20 -138.18 127.18 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.84 -50.92 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.37 87.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.65 -33.42 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.4 t60 -75.13 -61.59 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mmt -46.33 -44.97 17.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.9 t -57.13 -25.53 59.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.69 3.82 13.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.68 82.2 1.72 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.996 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 160.95 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.9 p -90.99 51.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 tp -110.15 -29.28 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.25 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.6 t -60.65 162.27 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -129.99 33.86 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 9.9 mt -125.78 148.8 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 mtmt -73.45 -60.33 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.691 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.8 p -58.99 -24.26 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -95.04 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -68.77 -45.03 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.852 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -115.11 0.5 13.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.564 0.221 . . . . 0.0 111.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.82 32.0 21.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.471 ' CG ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -123.0 130.28 52.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.82 -63.35 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.55 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.9 t60 -75.06 -62.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.789 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.3 mtp -46.01 -44.64 15.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.661 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.8 t -57.23 -25.69 59.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.01 4.17 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.55 34.68 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 171.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.8 p -82.29 59.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -111.55 -30.3 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.6 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.0 t -59.81 159.21 9.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -127.7 31.86 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.2 mt -122.33 148.81 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.5 mtmm -73.49 -63.61 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.828 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.6 p -56.98 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -95.13 -66.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.232 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -65.15 -40.69 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.493 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.35 15.36 4.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.028 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -94.92 -1.09 53.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.562 0.22 . . . . 0.0 111.53 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.42 30.43 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 111.242 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.814 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.4 m120 -118.54 122.92 43.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.42 -59.5 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.57 95.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -59.57 -30.27 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.0 -62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -45.73 -44.8 14.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.702 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 18' ' ' ALA . 10.9 t -57.51 -26.14 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -114.95 3.83 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.846 0.355 . . . . 0.0 110.999 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 172.38 5.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.847 0.356 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.66 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -94.01 46.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -111.6 -31.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.39 68.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.3 t -59.18 160.6 6.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.55 33.46 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 mt -116.28 151.56 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -57.53 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 9' ' ' VAL . 10.5 p -90.47 51.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.6 t -158.61 -57.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.08 -52.75 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 35.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.691 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.73 0.37 30.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.623 0.249 . . . . 0.0 111.615 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.61 20.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.15 134.48 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.02 -51.22 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.38 88.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.1 -33.72 69.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t60 -75.17 -61.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.794 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttt -46.46 -44.95 17.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.695 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -56.6 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.28 3.9 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.043 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.57 30.98 1.33 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.45 152.49 17.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.845 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.4 p -92.94 48.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.055 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.49 30.69 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.71 -31.03 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.84 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -59.51 163.27 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -125.07 35.07 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 13.7 mt -127.21 149.27 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -73.45 -58.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.74 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.0 p -63.57 -23.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.279 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -93.17 -61.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.042 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -44.98 44.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.65 35.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -111.54 -0.49 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.527 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.78 30.98 19.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 111.189 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.2 t-20 -130.24 123.18 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' CG1' ' A' ' 2' ' ' VAL . 21.7 t -89.55 -54.39 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.98 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.05 -35.21 71.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.605 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.3 t60 -75.17 -61.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 ttm -46.65 -44.95 18.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -56.88 -25.31 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.059 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.21 3.84 13.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.605 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 32.86 1.29 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.95 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 152.32 21.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.268 -0.872 . . . . 1.0 110.936 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.552 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.2 p -92.06 49.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 tt -121.44 28.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.32 -30.31 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.7 t -58.7 162.49 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -129.17 31.63 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.61 154.75 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -60.22 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 9' ' ' VAL . 12.4 p -88.14 54.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.5 t -162.51 -53.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.04 -59.91 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.61 35.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.697 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.91 -0.11 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.577 0.227 . . . . 0.0 111.589 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.97 20.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -141.9 108.66 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.4 t -76.14 -48.23 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.594 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.3 -36.78 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.04 -60.43 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.21 -44.82 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.694 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -56.87 -24.74 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.93 3.86 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.604 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 31.02 1.33 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.851 0.358 . . . . 0.0 111.009 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 171.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.212 -0.899 . . . . 1.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.47 ' HB3' HG22 ' A' ' 3' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p -96.75 40.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG22 ' HB3' ' A' ' 1' ' ' ARG . 2.9 tt -120.47 29.45 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.07 -30.35 7.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.0 t -58.51 161.29 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -120.31 35.01 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 8.4 mt -133.03 144.37 50.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 mtmp? -71.52 -57.72 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.753 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.2 p -59.14 -27.87 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.188 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.4 t -90.33 -66.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.08 -47.09 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.746 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -98.95 -1.71 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.623 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.54 30.42 17.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 6.1 t-20 -145.86 107.39 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.588 HG22 ' HB ' ' A' ' 2' ' ' VAL . 21.1 t -68.95 -47.68 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.57 91.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.6 -37.19 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.15 -60.42 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -47.24 -44.76 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.713 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.5 t -56.81 -24.59 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 3.94 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.608 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.6 30.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.045 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 168.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.515 ' HG2' HG22 ' A' ' 3' ' ' ILE . 2.6 tpt180 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.758 0.313 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 16' ' ' VAL . 11.2 p -94.72 47.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG22 ' HG2' ' A' ' 1' ' ' ARG . 5.7 tt -124.66 30.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.83 -30.36 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.202 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.4 t -58.41 160.98 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.37 35.1 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.4 mt -131.05 164.41 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 14.7 mtmm -88.96 -59.0 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.767 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.3 p -60.34 -27.31 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -88.8 -65.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.0 -47.34 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.74 35.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.738 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -97.03 -1.3 45.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 0.0 111.623 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.04 30.38 18.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 7.3 t-20 -148.65 112.39 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 2' ' ' VAL . 17.3 t -72.55 -43.79 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -47.04 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -56.63 -37.44 70.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.024 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.17 -60.36 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mtt -47.46 -44.73 25.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -56.55 -24.54 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.59 4.06 12.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.61 82.07 1.72 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.999 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.17 10.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.224 -0.893 . . . . 1.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.745 ' HB ' HG22 ' A' ' 16' ' ' VAL . 10.2 p -95.07 52.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -130.24 28.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 -30.54 7.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.4 t -58.58 158.35 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -115.27 33.01 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 14.7 mt -129.07 142.79 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.9 mttt -70.45 -58.17 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.0 p -61.3 -28.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -87.11 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -64.96 -48.08 75.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.822 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -95.0 -1.23 52.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.3 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.79 30.57 17.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 t-20 -152.39 109.08 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.745 HG22 ' HB ' ' A' ' 2' ' ' VAL . 26.7 t -68.69 -43.32 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.16 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t60 -75.07 -59.95 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 tpp -47.49 -44.61 25.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.748 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.8 -24.66 52.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.0 3.73 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.53 82.54 1.74 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 179.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.801 0.334 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 11' ' ' ALA . 14.4 p -96.07 43.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 tt -110.37 -29.66 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -27.71 64.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.765 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 7.7 t -57.68 161.31 3.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 41.1 p90 -111.21 -19.42 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.309 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HG ' ' CE1' ' A' ' 6' ' ' PHE . 22.2 mt -84.89 136.11 33.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.04 -52.15 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.75 -28.5 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 6.3 t -88.29 -57.54 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -62.29 -46.34 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.59 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.757 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.2 -2.3 46.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.534 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.62 30.46 17.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.772 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -144.04 107.27 4.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.88 -44.65 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.23 82.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.772 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.49 -35.35 70.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.18 -61.26 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.715 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttm -46.35 -45.07 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.674 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.9 t -57.04 -25.76 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.31 . . . . 0.0 111.105 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.4 3.83 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.71 82.61 1.73 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 174.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.308 -0.853 . . . . 1.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.627 ' HB ' HG22 ' A' ' 16' ' ' VAL . 13.5 p -96.28 41.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.61 34.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.66 29.83 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 14.2 t -116.46 144.68 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -103.89 34.82 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 22.1 mt -130.75 142.53 50.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -74.15 -60.9 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.4 p -58.94 -25.45 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -88.06 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -61.38 -44.95 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.69 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.732 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -101.8 -1.95 31.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.543 0.211 . . . . 0.0 111.515 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.46 30.32 16.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -141.14 112.15 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.9 t -73.98 -50.18 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.73 91.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.82 -36.44 72.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 7.9 t60 -75.19 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ttt -47.15 -44.79 22.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.672 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.4 t -56.71 -25.18 53.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.44 3.72 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.65 32.22 1.3 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 110.948 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.68 143.94 39.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 1.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.0 p -89.91 52.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.21 35.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.13 29.96 6.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.4 t -120.82 158.28 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -124.32 34.95 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.8 mt -127.21 146.65 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.0 mtmt -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.704 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 11.5 p -60.89 -23.38 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.278 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -93.77 -65.07 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.81 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -69.52 -44.68 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.62 35.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.765 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -117.0 -0.24 12.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.593 0.235 . . . . 0.0 111.517 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.12 29.77 17.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 m120 -117.73 117.74 30.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' CG1' ' A' ' 2' ' ' VAL . 27.8 t -86.37 -63.2 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.77 93.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.847 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.76 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.599 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.0 t60 -75.16 -62.39 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.8 mtm -46.1 -44.91 16.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.2 t -56.91 -25.94 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -115.79 4.25 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.599 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 31.19 1.33 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.04 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 178.07 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.208 -0.901 . . . . 1.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.844 0.354 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 2' ' ' VAL . 10.6 p -79.15 61.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 tt -134.82 26.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.45 -30.62 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 5.8 t -58.45 162.48 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -125.06 32.9 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.45 155.68 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -78.6 -47.16 17.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.8 p -96.96 40.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.2 t -145.2 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.815 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.96 -49.35 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.65 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.776 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.48 53.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 111.502 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.02 30.66 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -153.5 113.84 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 2' ' ' VAL . 16.6 t -74.39 -34.44 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.53 65.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 21' ' ' THR . . . -55.27 -38.01 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.1 t60 -75.23 -59.99 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 mtm -47.88 -44.54 29.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.707 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -56.62 -24.31 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.88 3.98 12.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.035 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.62 82.99 1.75 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 174.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.947 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.79 0.329 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.1 p -137.58 50.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.04 0.448 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -125.06 35.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.39 30.34 4.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 9.4 t -121.35 159.07 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -125.95 34.9 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.75 139.21 53.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -48.43 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 9' ' ' VAL . 13.3 p -94.4 45.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.7 t -151.93 -58.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -75.05 -49.79 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.78 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.87 -0.42 34.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.604 0.24 . . . . 0.0 111.567 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 30.73 19.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.3 t-20 -141.07 105.92 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 2' ' ' VAL . 20.8 t -71.8 -49.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.19 90.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.28 -36.83 71.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.0 t60 -75.2 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ttm -47.24 -44.85 23.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.68 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -56.6 -24.8 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.06 12.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.67 31.22 1.32 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 178.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.174 -0.917 . . . . 1.0 110.869 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.874 0.369 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.8 p -97.69 39.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 tt -110.37 -29.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.99 -26.42 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.8 t -56.9 130.09 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -98.02 35.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -128.67 -160.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 mttt -134.67 -46.1 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.65 -29.39 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 46.7 t -89.78 -52.07 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -63.65 -43.89 95.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.7 35.22 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.773 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.62 -0.18 46.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.595 0.236 . . . . 0.0 111.6 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.22 36.74 25.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -150.14 109.73 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.24 -44.87 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.98 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -58.38 -31.05 67.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.9 t60 -75.19 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.713 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.26 -44.94 16.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.639 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.7 t -56.91 -25.44 57.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.33 4.09 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.601 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.59 38.22 1.36 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 120.885 0.374 . . . . 0.0 110.929 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 164.87 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 1.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.6 p -94.84 45.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 tt -111.49 -29.48 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.41 -28.69 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.9 t -58.52 159.69 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -132.75 34.25 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.06 148.51 43.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -66.68 -60.85 2.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 9' ' ' VAL . 11.3 p -86.35 55.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 1.8 t -160.72 -59.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -44.53 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 35.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.742 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.3 -0.02 24.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.581 0.229 . . . . 0.0 111.593 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.86 29.63 19.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -130.83 155.39 46.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -118.03 -48.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.73 82.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.578 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.15 -35.1 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.2 t60 -75.18 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttm -47.2 -44.63 22.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.646 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.7 t -56.69 -25.21 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.75 3.76 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.611 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.56 30.36 1.36 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.64 173.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.314 -0.85 . . . . 1.0 110.921 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.836 0.351 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.7 p -97.14 40.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -111.39 -25.29 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.32 -27.83 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.811 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 4.3 t -57.11 131.37 49.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -97.91 34.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.78 -160.39 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -134.71 -45.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -67.37 -29.16 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 49.0 t -91.31 -48.75 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -66.71 -43.71 83.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.72 35.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.738 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.32 -0.53 49.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.633 0.254 . . . . 0.0 111.565 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.88 30.72 19.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -144.46 104.13 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.4 t -68.71 -44.11 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.63 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.63 -31.73 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t60 -75.2 -62.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttm -46.12 -44.84 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.772 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 18' ' ' ALA . 11.4 t -57.05 -25.64 58.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.08 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.528 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -116.08 4.23 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.58 52.85 1.33 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.014 0.435 . . . . 0.0 110.912 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.54 -178.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.203 -0.903 . . . . 1.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.806 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 2' ' ' VAL . 10.6 p -89.45 53.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -123.63 31.03 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.94 30.39 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.873 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 10.4 t -107.07 138.72 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -97.75 34.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.7 -159.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.3 mtmt -134.69 -46.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.754 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.39 -28.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 43.3 t -85.72 -42.79 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.873 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . . . -74.98 -41.08 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -85.63 35.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.746 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.63 -0.83 39.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.541 0.21 . . . . 0.0 111.534 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.39 30.67 18.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 1.5 t-20 -141.36 107.0 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.8 -49.39 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.11 83.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 15' ' ' ASN . . . -57.13 -35.35 69.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 8.5 t60 -75.15 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mmm -47.03 -44.87 20.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.728 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.8 t -56.65 -24.88 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.15 4.23 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -143.63 51.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.0 110.812 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -179.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 1.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_