data_5kgy_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 5kgy _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.865 0.365 . . . . 62.33 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -92.41 -38.45 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.911 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.78 -22.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.97 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -107.67 -33.92 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.908 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.39 -29.25 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.54 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -33.42 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.59 -50.4 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.828 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.54 -33.09 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -55.52 -28.61 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.945 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.06 -32.22 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.829 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.59 -38.42 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.73 -37.55 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -29.64 40.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 71.1 112.476 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.26 -29.2 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 75.21 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -99.84 -32.5 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.5 -29.5 70.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 74.45 112.514 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.894 0.378 . . . . 73.22 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -87.7 -46.23 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 74.14 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.81 -22.61 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.62 -29.87 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.15 111.099 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.77 -34.98 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -62.45 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -35.06 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.41 110.865 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -26.68 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -75.85 -41.11 53.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.87 -44.42 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.05 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -54.56 -27.54 39.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -71.02 -41.45 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.847 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.69 -41.16 88.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.87 -30.47 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.58 -25.99 44.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 51.01 112.496 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -63.18 -35.88 81.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 75.44 110.863 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.5 -35.72 11.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.41 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.76 -52.88 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.12 112.509 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 60.41 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.5 -53.04 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.66 -22.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.97 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.09 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -107.82 -33.86 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -62.28 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.905 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.56 -39.19 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.865 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.6 -27.14 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -68.43 -46.86 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -75.89 -33.09 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -54.83 -27.39 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 74.52 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.02 -43.89 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.9 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.74 -26.17 40.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.922 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.66 -32.67 58.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 63.14 112.482 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -58.03 -50.11 74.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 72.44 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.46 -37.42 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.4 -40.58 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.911 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 71.44 112.487 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 74.23 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.04 -44.1 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.57 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.141 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.93 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 60.14 111.117 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -34.17 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -62.4 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.923 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.54 -39.11 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 72.25 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 70.23 110.865 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -65.91 -51.65 56.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.832 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.66 -34.05 69.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.857 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -38.06 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.849 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.14 -35.05 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.47 -37.49 71.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.926 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.04 -43.54 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.43 110.926 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.05 -24.17 68.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 75.42 112.506 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -84.85 -61.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 73.41 110.883 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.92 -35.0 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 72.44 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.37 27.35 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 62.21 112.495 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.904 0.383 . . . . 43.13 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -100.28 -52.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.901 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.75 -22.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.04 111.127 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.56 -29.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.129 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -107.86 -34.27 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -62.4 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.934 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.31 -36.57 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.924 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.07 -30.39 70.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.06 -45.55 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.3 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.01 -30.91 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.875 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -58.25 -26.85 63.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.844 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.65 -28.67 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.41 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.43 -37.16 44.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.05 -26.25 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.867 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.26 -21.7 57.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 72.23 112.484 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.18 -30.43 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 73.45 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -105.67 -36.89 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.13 -38.43 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.53 110.937 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 72.35 112.537 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.881 0.372 . . . . 74.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.7 -41.43 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.77 -22.45 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 73.15 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 -29.93 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -34.48 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -62.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.919 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.42 -39.54 76.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 71.02 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -63.19 -32.43 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.842 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.52 -44.97 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.71 -47.07 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.836 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -52.93 -30.52 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.71 -35.53 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.15 -39.18 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.1 -28.66 62.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 75.23 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.91 -22.64 44.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 73.43 112.507 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.06 -32.63 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 64.43 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -82.43 -56.76 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.871 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.66 -38.12 70.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 73.45 110.912 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 73.45 112.52 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.888 0.375 . . . . 75.31 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -91.19 -41.55 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.05 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.81 -22.37 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.97 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.118 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -108.03 -34.54 6.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -62.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.56 -41.89 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -61.66 -27.68 68.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.93 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.05 -66.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -56.09 -46.84 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -52.84 -30.35 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.903 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -69.08 -41.38 77.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.875 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.47 -38.93 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.26 -41.44 63.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.0 -24.08 64.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 73.41 112.494 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -94.1 -48.17 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 63.43 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.27 -44.79 95.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.826 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -86.85 -48.68 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.91 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 73.31 112.498 179.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.912 0.387 . . . . 74.44 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -109.46 -29.1 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 75.03 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.74 -22.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.147 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.89 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.109 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -108.06 -35.63 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.893 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 55.21 110.922 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.95 -44.36 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.864 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -57.23 -31.59 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.904 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.92 -55.32 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.95 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 75.5 110.864 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -56.14 -27.07 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -73.57 -27.48 61.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 64.44 110.866 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.51 -27.95 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.87 -43.9 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.916 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.81 75.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.516 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -94.14 -37.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 73.12 110.883 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -78.13 -45.58 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.04 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.13 -53.88 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 63.55 112.481 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.879 0.371 . . . . 74.22 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -104.5 -46.34 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.893 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.119 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.9 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 71.04 111.06 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -107.66 -34.02 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.73 -35.75 71.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.15 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -68.53 -26.73 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -70.69 -26.73 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.16 -24.98 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -79.39 -33.7 42.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.24 110.931 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -35.03 79.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.9 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.96 -41.71 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -73.65 -41.1 63.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.958 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.32 -29.08 29.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 74.43 112.448 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.0 -26.7 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 74.23 110.927 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -107.54 -38.59 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.847 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.89 -34.14 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 53.24 110.941 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 71.42 112.541 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.858 0.361 . . . . 74.21 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -91.85 -52.25 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.895 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.89 -21.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.157 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.92 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 72.43 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -108.65 -36.39 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.905 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -62.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.34 110.898 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -65.41 -26.04 67.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.54 110.868 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -74.17 -40.95 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.96 -40.2 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -56.21 -30.0 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.31 -30.9 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 71.31 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.98 -32.55 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.52 -30.26 37.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.83 -29.33 54.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.04 -30.2 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.41 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -100.79 -41.69 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.857 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -33.25 71.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 75.24 112.469 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.89 0.376 . . . . 75.43 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -111.19 -52.63 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.83 -22.09 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.22 111.128 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.8 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.55 111.101 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -108.46 -35.43 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.923 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.83 -45.81 85.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.3 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -57.83 -33.12 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.63 -56.57 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.21 110.835 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.79 -29.21 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.73 -37.5 82.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.837 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.34 -40.09 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.905 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.6 -25.07 49.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.2 -45.99 57.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.4 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -39.28 31.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 74.04 110.922 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.0 -36.89 75.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.84 -40.56 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.951 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 70.41 112.485 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.858 0.361 . . . . 71.31 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -99.89 -35.02 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.0 -21.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 64.32 111.135 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.79 -29.87 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 72.51 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -108.73 -36.29 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -62.26 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.922 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.13 -29.51 67.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -74.2 -26.33 60.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.94 -51.01 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.53 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.26 -35.73 81.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -55.71 -26.29 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 74.02 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.8 -27.06 40.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.824 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.29 -29.28 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -94.79 -26.64 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.95 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.59 -38.72 82.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 62.12 112.517 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -55.47 -30.23 60.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 74.54 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.74 -27.82 14.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -96.61 26.35 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 73.54 112.482 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.851 0.357 . . . . 73.02 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -96.51 -26.82 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.25 -23.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 73.14 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.1 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.114 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -105.06 -37.17 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.89 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -62.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.885 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.5 -28.57 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.25 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -76.06 -34.67 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -55.73 -38.95 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 65.34 110.863 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.65 -35.64 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -56.89 -33.4 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.5 -33.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.835 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.14 -35.94 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.941 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.28 -38.84 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.0 -26.81 71.59 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 73.33 112.457 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -91.46 -54.98 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 74.34 110.91 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.12 -39.91 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.912 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.03 26.69 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.21 110.953 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 64.3 112.464 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 73.13 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.98 -40.29 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 74.43 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.03 -21.27 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 72.14 111.154 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -108.84 -36.15 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -62.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.944 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -58.58 -39.8 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -63.93 -28.0 69.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.888 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -66.76 -52.13 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 72.05 110.848 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.51 -37.46 86.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.902 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.13 -34.51 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 65.3 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.17 -37.12 78.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.64 -43.69 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.37 -30.44 60.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 71.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.25 28.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 65.42 112.468 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -45.58 91.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 74.41 110.893 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -84.52 -32.17 24.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.04 -50.44 64.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 62.12 112.482 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.909 0.385 . . . . 73.41 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.28 -26.23 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.843 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.31 -23.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.36 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.25 111.147 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -105.07 -37.64 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.919 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -62.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.94 -42.51 72.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.847 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -64.35 -34.37 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.05 110.914 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.77 -46.09 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.921 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -73.99 -40.77 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.876 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -60.39 -26.14 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.04 -39.68 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.891 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.5 -39.6 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 75.1 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.94 -28.85 49.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.97 -27.81 38.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.467 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.04 -34.51 78.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 75.25 110.88 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.68 -49.02 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 75.1 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 73.02 112.506 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.936 0.398 . . . . 71.02 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.63 -26.42 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 71.4 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.23 -23.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 72.14 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.66 -30.1 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.061 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -37.97 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -62.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.29 -47.45 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -26.15 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 71.3 110.852 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -64.8 -46.59 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -67.81 -35.27 78.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.44 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -56.64 -26.43 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.31 -33.28 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.895 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.21 -37.41 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.46 -29.76 37.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.18 -22.46 49.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 64.23 112.462 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -60.09 -27.73 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 74.04 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -114.67 -29.74 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.869 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 mt -71.07 -30.27 66.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 70.35 112.525 179.859 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.944 0.402 . . . . 61.32 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -91.07 -26.81 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.18 -23.33 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 71.43 111.128 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.11 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 60.14 111.146 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -105.4 -37.89 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.881 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -62.58 1.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.12 -43.56 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.873 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -36.51 80.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.59 -57.94 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.915 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.58 -34.68 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.938 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -57.02 -27.54 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.937 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.83 -39.16 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.876 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.92 -29.23 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.897 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -88.12 -26.14 22.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.957 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.19 -29.31 44.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 61.02 112.509 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -61.95 -30.68 71.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 75.3 110.894 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -98.13 -37.85 9.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.03 -34.58 77.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.912 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 72.33 112.504 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.896 0.379 . . . . 71.22 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.92 -44.57 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.879 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.52 -22.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 72.23 111.109 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.51 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.31 111.108 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.4 -25.9 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -63.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.964 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.97 -26.09 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.43 110.842 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -77.36 -31.63 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.901 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -75.0 -39.24 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.92 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.06 -44.74 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 75.01 110.875 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -56.1 -25.8 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.846 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -26.37 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.45 110.888 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.06 -25.21 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.44 -47.1 57.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 62.2 112.472 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -85.92 -36.22 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 74.35 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.02 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.841 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.65 -44.55 81.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 74.43 112.537 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.855 0.36 . . . . 74.24 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -103.77 -32.94 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.938 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.93 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.149 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -24.04 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.112 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -45.13 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.54 110.911 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.65 -67.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -60.36 -25.98 66.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -76.12 -26.35 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 71.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -83.48 -52.21 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.61 -35.68 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.863 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.86 -31.37 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -71.11 -26.32 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.88 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.81 -39.38 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.88 -29.68 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.933 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.06 -32.83 43.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 74.13 112.505 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -59.69 -27.69 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.806 0.336 . . . . 74.11 110.908 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -100.35 -35.3 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.884 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.24 -43.44 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.477 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 74.11 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -115.78 -22.21 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.1 110.883 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.43 -23.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.58 -29.96 19.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 71.33 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -34.01 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.94 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -62.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.941 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.77 -33.58 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.915 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.33 -53.43 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.38 -26.27 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.41 -31.25 62.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 73.52 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.82 -34.99 26.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.88 -44.26 32.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.925 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.96 45.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 70.32 112.451 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.85 -53.76 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 72.23 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.65 -30.4 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.58 28.26 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 54.1 112.493 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -120.05 51.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.163 -0.926 . . . . 62.33 110.879 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -92.41 -38.45 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.911 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.78 -22.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.97 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -107.67 -33.92 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.908 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.39 -29.25 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.54 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -33.42 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.59 -50.4 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.828 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.54 -33.09 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -55.52 -28.61 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.945 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.06 -32.22 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.829 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.59 -38.42 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.73 -37.55 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -29.64 40.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 71.1 112.476 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.26 -29.2 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 75.21 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -99.84 -32.5 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.5 -29.5 70.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.92 105.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 74.45 112.514 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.29 38.78 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 70.3 110.847 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.914 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.77 28.82 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.16 -0.927 . . . . 73.22 110.889 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -87.7 -46.23 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 74.14 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.81 -22.61 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.62 -29.87 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.15 111.099 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.77 -34.98 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -62.45 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -35.06 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.41 110.865 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -26.68 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -75.85 -41.11 53.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.87 -44.42 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.05 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -54.56 -27.54 39.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -71.02 -41.45 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.847 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.69 -41.16 88.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.87 -30.47 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.58 -25.99 44.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 51.01 112.496 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -63.18 -35.88 81.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 75.44 110.863 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.5 -35.72 11.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.41 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.76 -52.88 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 87.41 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.12 112.509 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -89.08 -40.83 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 74.21 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.922 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -131.86 36.72 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.169 -0.923 . . . . 60.41 110.876 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.5 -53.04 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.66 -22.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.97 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.09 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -107.82 -33.86 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -62.28 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.905 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.56 -39.19 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.865 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.6 -27.14 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -68.43 -46.86 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -75.89 -33.09 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -54.83 -27.39 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 74.52 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.02 -43.89 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.9 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.74 -26.17 40.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.922 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.66 -32.67 58.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 63.14 112.482 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -58.03 -50.11 74.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 72.44 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.46 -37.42 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.4 -40.58 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.911 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.69 -55.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 71.44 112.487 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 t30 54.86 29.77 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 75.13 110.848 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.87 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.09 49.84 19.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.161 -0.927 . . . . 74.23 110.865 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.04 -44.1 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.57 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.141 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.93 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 60.14 111.117 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -34.17 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -62.4 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.923 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.54 -39.11 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 72.25 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 70.23 110.865 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -65.91 -51.65 56.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.832 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.66 -34.05 69.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.857 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -38.06 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.849 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.14 -35.05 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.47 -37.49 71.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.926 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.04 -43.54 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.43 110.926 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.05 -24.17 68.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 75.42 112.506 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -84.85 -61.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 73.41 110.883 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.92 -35.0 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 72.44 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.37 27.35 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.18 85.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 62.21 112.495 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -134.77 168.87 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 72.23 110.884 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.906 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 53.37 33.3 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.162 -0.926 . . . . 43.13 110.91 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -100.28 -52.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.901 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.75 -22.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.04 111.127 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.56 -29.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.129 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -107.86 -34.27 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -62.4 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.934 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.31 -36.57 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.924 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.07 -30.39 70.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.06 -45.55 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.3 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.01 -30.91 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.875 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -58.25 -26.85 63.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.844 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.65 -28.67 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.41 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.43 -37.16 44.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.05 -26.25 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.867 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.26 -21.7 57.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 72.23 112.484 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.18 -30.43 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 73.45 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -105.67 -36.89 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.13 -38.43 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.53 110.937 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.21 87.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 72.35 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.81 -67.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 74.23 110.873 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.875 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -111.18 40.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.19 -0.914 . . . . 74.0 110.92 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.7 -41.43 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.77 -22.45 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 73.15 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 -29.93 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -34.48 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -62.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.919 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.42 -39.54 76.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 71.02 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -63.19 -32.43 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.842 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.52 -44.97 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.71 -47.07 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.836 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -52.93 -30.52 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.71 -35.53 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.15 -39.18 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.1 -28.66 62.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 75.23 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.91 -22.64 44.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 73.43 112.507 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.06 -32.63 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 64.43 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -82.43 -56.76 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.871 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.66 -38.12 70.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 73.45 110.912 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.75 -32.88 41.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 73.45 112.52 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -81.36 150.86 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 73.23 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.901 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -119.66 30.76 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.213 -0.903 . . . . 75.31 110.891 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -91.19 -41.55 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.05 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.81 -22.37 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.97 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.118 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -108.03 -34.54 6.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -62.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.56 -41.89 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -61.66 -27.68 68.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.93 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.05 -66.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -56.09 -46.84 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -52.84 -30.35 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.903 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -69.08 -41.38 77.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.875 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.47 -38.93 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.26 -41.44 63.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.0 -24.08 64.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 73.41 112.494 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -94.1 -48.17 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 63.43 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.27 -44.79 95.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.826 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -86.85 -48.68 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.91 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.52 40.35 1.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 73.31 112.498 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 57.63 44.5 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 70.11 110.87 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.902 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -125.71 -52.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.156 -0.929 . . . . 74.44 110.865 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -109.46 -29.1 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 75.03 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.74 -22.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.147 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.89 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.109 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -108.06 -35.63 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.893 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 55.21 110.922 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.95 -44.36 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.864 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -57.23 -31.59 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.904 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.92 -55.32 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.95 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 75.5 110.864 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -56.14 -27.07 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -73.57 -27.48 61.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 64.44 110.866 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.51 -27.95 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.87 -43.9 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.916 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.81 75.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.516 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -94.14 -37.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 73.12 110.883 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -78.13 -45.58 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.04 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.13 -53.88 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.16 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 63.55 112.481 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -115.15 42.31 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 72.41 110.861 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.93 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 57.76 41.95 24.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.172 -0.922 . . . . 74.22 110.893 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -104.5 -46.34 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.893 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.119 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.9 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 71.04 111.06 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -107.66 -34.02 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.73 -35.75 71.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.15 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -68.53 -26.73 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -70.69 -26.73 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.16 -24.98 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -79.39 -33.7 42.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.24 110.931 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -35.03 79.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.9 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.96 -41.71 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -73.65 -41.1 63.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.958 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.32 -29.08 29.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 74.43 112.448 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.0 -26.7 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 74.23 110.927 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -107.54 -38.59 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.847 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.89 -34.14 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 53.24 110.941 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.71 -61.31 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 71.42 112.541 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -90.92 101.02 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 73.44 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.13 110.913 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.81 62.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.175 -0.92 . . . . 74.21 110.926 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -91.85 -52.25 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.895 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.89 -21.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.157 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.92 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 72.43 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -108.65 -36.39 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.905 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -62.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.34 110.898 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -65.41 -26.04 67.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.54 110.868 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -74.17 -40.95 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.96 -40.2 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -56.21 -30.0 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.31 -30.9 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 71.31 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.98 -32.55 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.52 -30.26 37.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.83 -29.33 54.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.04 -30.2 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.41 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -100.79 -41.69 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.857 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -33.25 71.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.74 52.43 12.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 75.24 112.469 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -91.03 -50.64 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 73.43 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.865 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.81 38.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.157 -0.929 . . . . 75.43 110.88 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -111.19 -52.63 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.83 -22.09 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.22 111.128 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.8 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.55 111.101 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -108.46 -35.43 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.923 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.83 -45.81 85.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.3 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -57.83 -33.12 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.63 -56.57 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.21 110.835 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.79 -29.21 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.73 -37.5 82.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.837 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.34 -40.09 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.905 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.6 -25.07 49.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.2 -45.99 57.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.4 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -39.28 31.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 74.04 110.922 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.0 -36.89 75.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.84 -40.56 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.951 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.67 61.41 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 70.41 112.485 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -56.16 -26.37 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 75.23 110.877 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.904 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -103.8 65.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.187 -0.915 . . . . 71.31 110.862 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -99.89 -35.02 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.0 -21.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 64.32 111.135 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.79 -29.87 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 72.51 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -108.73 -36.29 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -62.26 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.922 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.13 -29.51 67.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -74.2 -26.33 60.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.94 -51.01 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.53 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.26 -35.73 81.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -55.71 -26.29 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 74.02 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.8 -27.06 40.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.824 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.29 -29.28 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -94.79 -26.64 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.95 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.59 -38.72 82.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 62.12 112.517 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -55.47 -30.23 60.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 74.54 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.74 -27.82 14.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -96.61 26.35 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.62 92.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 73.54 112.482 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -117.03 78.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 65.33 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.53 110.863 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.43 70.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.87 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -96.51 -26.82 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.25 -23.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 73.14 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.1 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.114 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -105.06 -37.17 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.89 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -62.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.885 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.5 -28.57 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.25 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -76.06 -34.67 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -55.73 -38.95 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 65.34 110.863 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.65 -35.64 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -56.89 -33.4 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.5 -33.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.835 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.14 -35.94 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.941 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.28 -38.84 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.0 -26.81 71.59 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 73.33 112.457 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -91.46 -54.98 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 74.34 110.91 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.12 -39.91 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.912 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.03 26.69 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.21 110.953 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.08 -51.11 0.65 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 64.3 112.464 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -136.4 121.6 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 73.33 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.32 110.882 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.18 26.53 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.176 -0.92 . . . . 73.13 110.853 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.98 -40.29 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 74.43 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.03 -21.27 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 72.14 111.154 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -108.84 -36.15 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -62.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.944 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -58.58 -39.8 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -63.93 -28.0 69.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.888 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -66.76 -52.13 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 72.05 110.848 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.51 -37.46 86.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.902 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.13 -34.51 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 65.3 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.17 -37.12 78.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.64 -43.69 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.37 -30.44 60.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 71.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.25 28.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 65.42 112.468 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -45.58 91.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 74.41 110.893 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -84.52 -32.17 24.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.04 -50.44 64.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.05 73.37 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 62.12 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -121.5 135.0 55.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 73.11 110.914 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.9 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 53.39 52.36 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.212 -0.904 . . . . 73.41 110.918 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.28 -26.23 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.843 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.31 -23.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.36 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.25 111.147 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -105.07 -37.64 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.919 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -62.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.94 -42.51 72.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.847 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -64.35 -34.37 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.05 110.914 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.77 -46.09 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.921 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -73.99 -40.77 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.876 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -60.39 -26.14 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.04 -39.68 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.891 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.5 -39.6 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 75.1 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.94 -28.85 49.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.97 -27.81 38.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.467 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.04 -34.51 78.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 75.25 110.88 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.68 -49.02 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 75.1 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.16 -74.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 73.02 112.506 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.95 135.67 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 73.43 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.884 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.47 60.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.178 -0.919 . . . . 71.02 110.866 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.63 -26.42 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 71.4 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.23 -23.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 72.14 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.66 -30.1 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.061 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -37.97 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -62.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.29 -47.45 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -26.15 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 71.3 110.852 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -64.8 -46.59 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -67.81 -35.27 78.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.44 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -56.64 -26.43 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.31 -33.28 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.895 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.21 -37.41 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.46 -29.76 37.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.18 -22.46 49.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 64.23 112.462 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -60.09 -27.73 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 74.04 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -114.67 -29.74 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.869 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 mt -71.07 -30.27 66.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 41.59 2.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 70.35 112.525 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -158.0 139.61 13.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 74.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 54.34 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -120.16 26.79 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.181 -0.918 . . . . 61.32 110.921 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -91.07 -26.81 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.18 -23.33 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 71.43 111.128 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.11 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 60.14 111.146 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -105.4 -37.89 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.881 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -62.58 1.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.12 -43.56 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.873 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -36.51 80.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.59 -57.94 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.915 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.58 -34.68 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.938 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -57.02 -27.54 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.937 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.83 -39.16 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.876 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.92 -29.23 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.897 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -88.12 -26.14 22.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.957 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.19 -29.31 44.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 61.02 112.509 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -61.95 -30.68 71.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 75.3 110.894 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -98.13 -37.85 9.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.03 -34.58 77.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.912 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 43.39 2.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 72.33 112.504 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -102.61 -40.11 6.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 73.43 110.912 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 t30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.853 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -103.02 37.18 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.173 -0.921 . . . . 71.22 110.917 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.92 -44.57 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.879 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.52 -22.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 72.23 111.109 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.51 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.31 111.108 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.4 -25.9 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -63.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.964 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.97 -26.09 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.43 110.842 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -77.36 -31.63 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.901 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -75.0 -39.24 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.92 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.06 -44.74 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 75.01 110.875 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -56.1 -25.8 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.846 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -26.37 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.45 110.888 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.06 -25.21 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.44 -47.1 57.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 62.2 112.472 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -85.92 -36.22 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 74.35 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.02 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.841 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.65 -44.55 81.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 155.64 -67.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 74.43 112.537 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -137.01 141.71 42.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.44 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.906 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -96.69 63.2 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.178 -0.919 . . . . 74.24 110.843 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -103.77 -32.94 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.938 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.93 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.149 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -24.04 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.112 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -45.13 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.54 110.911 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.65 -67.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -60.36 -25.98 66.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -76.12 -26.35 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 71.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -83.48 -52.21 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.61 -35.68 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.863 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.86 -31.37 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -71.11 -26.32 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.88 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.81 -39.38 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.88 -29.68 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.933 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.06 -32.83 43.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 74.13 112.505 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -59.69 -27.69 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.806 0.336 . . . . 74.11 110.908 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -100.35 -35.3 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.884 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.24 -43.44 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.29 3.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.477 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -129.35 100.99 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 71.04 110.921 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.918 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -113.84 64.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.169 -0.923 . . . . 74.11 110.915 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -115.78 -22.21 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.1 110.883 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.43 -23.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.58 -29.96 19.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 71.33 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -34.01 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.94 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -62.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.941 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.77 -33.58 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.915 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.33 -53.43 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.38 -26.27 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.41 -31.25 62.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 73.52 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.82 -34.99 26.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.88 -44.26 32.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.925 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.96 45.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 70.32 112.451 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.85 -53.76 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 72.23 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.65 -30.4 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.58 28.26 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.48 26.26 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 54.1 112.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.19 132.78 55.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 74.4 110.861 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 63.21 110.865 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.865 0.365 . . . . 53.03 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -92.41 -38.45 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.911 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.78 -22.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.97 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -107.67 -33.92 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.908 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.39 -29.25 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.54 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -33.42 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.59 -50.4 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.2 110.828 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.54 -33.09 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -55.52 -28.61 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 65.23 110.945 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.06 -32.22 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.829 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.59 -38.42 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.73 -37.55 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -29.64 40.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 61.34 112.476 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.26 -29.2 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 73.34 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -99.84 -32.5 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.5 -29.5 70.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 52.34 112.514 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.894 0.378 . . . . 73.22 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -87.7 -46.23 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 74.14 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.81 -22.61 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.62 -29.87 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 41.43 111.099 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.77 -34.98 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -62.45 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -35.06 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.41 110.865 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -26.68 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -75.85 -41.11 53.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.87 -44.42 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.05 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -54.56 -27.54 39.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -71.02 -41.45 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.847 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.69 -41.16 88.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.87 -30.47 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.58 -25.99 44.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 32.43 112.496 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -63.18 -35.88 81.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 53.33 110.863 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.5 -35.72 11.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.41 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.76 -52.88 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.3 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 44.11 112.509 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 60.41 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.5 -53.04 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.66 -22.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.97 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.09 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -107.82 -33.86 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -67.83 -62.28 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.905 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.56 -39.19 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.865 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.6 -27.14 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -68.43 -46.86 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 54.02 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -75.89 -33.09 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -54.83 -27.39 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 74.52 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.02 -43.89 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.9 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.74 -26.17 40.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.922 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 19' ' ' LEU . . . -55.66 -32.67 58.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 63.14 112.482 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -58.03 -50.11 74.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 71.21 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.46 -37.42 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 16' ' ' GLY . 34.6 mt -53.4 -40.58 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 71.44 112.487 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 74.23 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.04 -44.1 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.57 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 53.11 111.141 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.93 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 60.14 111.117 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -34.17 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -62.4 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.923 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.54 -39.11 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 54.12 110.865 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -65.91 -51.65 56.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.832 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.66 -34.05 69.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.2 110.857 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -38.06 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 55.5 110.849 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.14 -35.05 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.47 -37.49 71.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.926 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.04 -43.54 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.926 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.05 -24.17 68.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 75.42 112.506 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -84.85 -61.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 73.41 110.883 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.92 -35.0 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.37 27.35 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.33 112.495 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.904 0.383 . . . . 42.42 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -100.28 -52.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.04 110.901 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.75 -22.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.23 111.127 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.56 -29.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.129 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -107.86 -34.27 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -62.4 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.934 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.31 -36.57 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.924 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.07 -30.39 70.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.06 -45.55 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.3 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.01 -30.91 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.875 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -58.25 -26.85 63.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.844 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.65 -28.67 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 64.41 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.43 -37.16 44.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.05 -26.25 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.867 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.26 -21.7 57.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 24.35 112.484 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.18 -30.43 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 73.33 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -105.67 -36.89 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.13 -38.43 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 54.42 110.937 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 54.21 112.537 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.881 0.372 . . . . 74.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.7 -41.43 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 65.21 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.77 -22.45 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 73.15 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 -29.93 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -34.48 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -62.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.919 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.42 -39.54 76.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.33 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -63.19 -32.43 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.842 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.52 -44.97 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.71 -47.07 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.836 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -52.93 -30.52 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.71 -35.53 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.15 -39.18 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 19' ' ' LEU . 28.0 mt -73.1 -28.66 62.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 62.24 110.925 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.91 -22.64 44.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.45 112.507 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.06 -32.63 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 64.34 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -82.43 -56.76 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.871 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' LEU . 8.4 mt -71.66 -38.12 70.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.912 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 73.45 112.52 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.888 0.375 . . . . 72.14 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -91.19 -41.55 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.05 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.81 -22.37 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.11 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.97 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.118 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -108.03 -34.54 6.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -62.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.56 -41.89 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -61.66 -27.68 68.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.93 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.05 -66.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -56.09 -46.84 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -52.84 -30.35 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.903 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -69.08 -41.38 77.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.875 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.47 -38.93 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.26 -41.44 63.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.0 -24.08 64.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 73.41 112.494 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -94.1 -48.17 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 63.43 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.27 -44.79 95.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.45 110.826 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -86.85 -48.68 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 41.41 110.91 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 73.31 112.498 179.908 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.912 0.387 . . . . 65.11 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -109.46 -29.1 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 74.45 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.74 -22.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.147 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.89 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.109 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -108.06 -35.63 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.893 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.922 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.95 -44.36 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.864 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -57.23 -31.59 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 52.44 110.904 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.92 -55.32 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 54.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.95 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 62.13 110.864 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -56.14 -27.07 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -73.57 -27.48 61.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.866 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.51 -27.95 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.87 -43.9 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.01 110.916 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.81 75.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 74.53 112.516 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -94.14 -37.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 71.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -78.13 -45.58 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.13 -53.88 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 73.52 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 63.55 112.481 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.879 0.371 . . . . 74.22 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -104.5 -46.34 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.893 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.119 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.9 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.06 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -107.66 -34.02 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 65.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 60.41 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.73 -35.75 71.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.15 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -68.53 -26.73 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -70.69 -26.73 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 14' ' ' LEU . 10.8 m-85 -97.16 -24.98 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -79.39 -33.7 42.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.931 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -35.03 79.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.9 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 11' ' ' PHE . 8.9 mt -70.96 -41.71 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -73.65 -41.1 63.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.958 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.32 -29.08 29.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 55.23 112.448 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.0 -26.7 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 74.23 110.927 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -107.54 -38.59 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 61.42 110.847 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.89 -34.14 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 53.24 110.941 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 71.03 112.541 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.858 0.361 . . . . 73.4 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -91.85 -52.25 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.895 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.89 -21.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.157 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.92 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -108.65 -36.39 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.905 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -64.12 -62.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.34 110.898 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -65.41 -26.04 67.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 53.21 110.868 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -74.17 -40.95 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.96 -40.2 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -56.21 -30.0 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.31 -30.9 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.98 -32.55 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.52 -30.26 37.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.83 -29.33 54.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.04 -30.2 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.32 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -100.79 -41.69 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.857 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -33.25 71.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.922 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 41.2 112.469 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.89 0.376 . . . . 75.43 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -111.19 -52.63 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 51.54 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.83 -22.09 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 53.31 111.128 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.8 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 44.23 111.101 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -108.46 -35.43 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.923 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.83 -45.81 85.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -57.83 -33.12 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.63 -56.57 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.21 110.835 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.79 -29.21 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.73 -37.5 82.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.837 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.34 -40.09 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.905 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.6 -25.07 49.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.2 -45.99 57.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.4 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -39.28 31.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.24 110.922 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.0 -36.89 75.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.84 -40.56 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 53.53 110.951 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 34.23 112.485 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.858 0.361 . . . . 71.31 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -99.89 -35.02 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.0 -21.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 62.21 111.135 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.79 -29.87 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 53.24 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -108.73 -36.29 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.14 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -62.26 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.922 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.13 -29.51 67.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -74.2 -26.33 60.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.94 -51.01 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.53 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.26 -35.73 81.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -55.71 -26.29 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.8 -27.06 40.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.824 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.29 -29.28 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 45.53 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -94.79 -26.64 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.59 -38.72 82.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 62.12 112.517 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -55.47 -30.23 60.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 74.54 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.74 -27.82 14.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -96.61 26.35 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 52.1 112.482 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.851 0.357 . . . . 73.02 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -96.51 -26.82 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.25 -23.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 62.22 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.1 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.114 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -105.06 -37.17 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.42 -62.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.885 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.5 -28.57 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.25 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -76.06 -34.67 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -55.73 -38.95 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.863 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.65 -35.64 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 70.14 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -56.89 -33.4 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.5 -33.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.835 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.14 -35.94 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.941 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.28 -38.84 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.0 -26.81 71.59 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 65.52 112.457 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -91.46 -54.98 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 74.34 110.91 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.12 -39.91 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.912 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.03 26.69 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.953 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 64.3 112.464 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 73.03 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.98 -40.29 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 73.53 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.03 -21.27 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 52.34 111.154 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -108.84 -36.15 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -62.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.944 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -58.58 -39.8 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -63.93 -28.0 69.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.888 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -66.76 -52.13 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 65.11 110.848 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.51 -37.46 86.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.902 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.13 -34.51 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 61.12 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.17 -37.12 78.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.64 -43.69 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.37 -30.44 60.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 71.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.25 28.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 51.42 112.468 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -45.58 91.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 74.41 110.893 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -84.52 -32.17 24.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.04 -50.44 64.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 62.12 112.482 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.909 0.385 . . . . 73.41 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.28 -26.23 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.843 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.31 -23.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.36 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.25 111.147 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -105.07 -37.64 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -62.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.94 -42.51 72.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.847 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -64.35 -34.37 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.05 110.914 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.77 -46.09 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.921 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -73.99 -40.77 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.876 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -60.39 -26.14 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.04 -39.68 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.891 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.5 -39.6 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.94 -28.85 49.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.97 -27.81 38.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.467 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.04 -34.51 78.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 75.25 110.88 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.68 -49.02 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 73.02 112.506 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.936 0.398 . . . . 64.34 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.63 -26.42 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 70.5 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.23 -23.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 72.14 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.66 -30.1 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 54.13 111.061 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -37.97 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -62.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.29 -47.45 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -26.15 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 65.35 110.852 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -64.8 -46.59 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -67.81 -35.27 78.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 54.02 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -56.64 -26.43 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.3 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.31 -33.28 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.895 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.21 -37.41 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.46 -29.76 37.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.18 -22.46 49.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 60.31 112.462 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -60.09 -27.73 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 63.23 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -114.67 -29.74 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.869 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 mt -71.07 -30.27 66.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 31.23 112.525 179.859 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.944 0.402 . . . . 61.32 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -91.07 -26.81 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.18 -23.33 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.128 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.11 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 60.14 111.146 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -105.4 -37.89 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.881 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -62.58 1.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.12 -43.56 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.873 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -36.51 80.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.59 -57.94 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.915 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.58 -34.68 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -57.02 -27.54 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.937 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.83 -39.16 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.876 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.92 -29.23 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.05 110.897 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -88.12 -26.14 22.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 54.01 110.957 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.19 -29.31 44.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 34.02 112.509 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -61.95 -30.68 71.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 73.53 110.894 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -98.13 -37.85 9.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.03 -34.58 77.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.05 110.912 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 62.25 112.504 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.896 0.379 . . . . 51.31 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.92 -44.57 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.879 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.52 -22.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 70.24 111.109 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.51 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 44.04 111.108 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.4 -25.9 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -63.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.964 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.97 -26.09 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.842 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -77.36 -31.63 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 54.22 110.901 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -75.0 -39.24 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.92 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.06 -44.74 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.53 110.875 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -56.1 -25.8 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.846 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -26.37 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.45 110.888 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.06 -25.21 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.44 -47.1 57.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 34.11 112.472 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -85.92 -36.22 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 74.35 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.02 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.841 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.65 -44.55 81.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 74.43 112.537 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.855 0.36 . . . . 74.24 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -103.77 -32.94 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.938 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.535 HG12 ' CD1' ' A' ' 8' ' ' PHE . 16.6 m -97.93 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -24.04 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.112 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -45.13 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.54 110.911 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.65 -67.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.0 m-85 -60.36 -25.98 66.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.908 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -76.12 -26.35 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 71.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -83.48 -52.21 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.43 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.61 -35.68 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.863 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.86 -31.37 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -71.11 -26.32 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.88 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.81 -39.38 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.05 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.88 -29.68 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.933 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.06 -32.83 43.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 73.42 112.505 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -59.69 -27.69 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.806 0.336 . . . . 71.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -100.35 -35.3 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.884 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.24 -43.44 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 54.44 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 33.41 112.477 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 74.11 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -115.78 -22.21 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.883 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.43 -23.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.33 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.58 -29.96 19.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 64.33 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -34.01 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.94 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -68.9 -62.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.941 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.77 -33.58 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.915 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.33 -53.43 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.38 -26.27 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 60.21 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.41 -31.25 62.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 73.52 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.82 -34.99 26.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.88 -44.26 32.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.925 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.96 45.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 70.32 112.451 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.85 -53.76 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 72.23 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.65 -30.4 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.58 28.26 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 44.34 112.493 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -120.05 51.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.163 -0.926 . . . . 53.03 110.879 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -92.41 -38.45 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.911 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.78 -22.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.97 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -107.67 -33.92 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.908 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.39 -29.25 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.54 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -33.42 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.59 -50.4 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.2 110.828 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.54 -33.09 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -55.52 -28.61 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 65.23 110.945 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.06 -32.22 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.829 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.59 -38.42 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.73 -37.55 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -29.64 40.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 61.34 112.476 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.26 -29.2 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 73.34 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -99.84 -32.5 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.5 -29.5 70.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.92 105.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 52.34 112.514 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -109.29 38.78 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 70.3 110.847 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.914 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.77 28.82 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.16 -0.927 . . . . 73.22 110.889 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -87.7 -46.23 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 74.14 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.81 -22.61 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.62 -29.87 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 41.43 111.099 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.77 -34.98 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -62.45 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -35.06 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.41 110.865 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -26.68 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -75.85 -41.11 53.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.87 -44.42 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.05 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -54.56 -27.54 39.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -71.02 -41.45 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.847 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.69 -41.16 88.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.87 -30.47 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.58 -25.99 44.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 32.43 112.496 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -63.18 -35.88 81.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 53.33 110.863 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.5 -35.72 11.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.41 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.76 -52.88 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.3 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 87.41 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 44.11 112.509 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -89.08 -40.83 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 70.41 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.922 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -131.86 36.72 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.169 -0.923 . . . . 60.41 110.876 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.5 -53.04 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.66 -22.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.97 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.09 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -107.82 -33.86 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -67.83 -62.28 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.905 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.56 -39.19 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.865 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.6 -27.14 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -68.43 -46.86 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 54.02 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -75.89 -33.09 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -54.83 -27.39 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 74.52 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.02 -43.89 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.9 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.74 -26.17 40.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.922 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 19' ' ' LEU . . . -55.66 -32.67 58.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 63.14 112.482 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -58.03 -50.11 74.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 71.21 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.46 -37.42 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 16' ' ' GLY . 34.6 mt -53.4 -40.58 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.69 -55.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 71.44 112.487 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 t30 54.86 29.77 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 73.34 110.848 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 65.34 110.87 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.09 49.84 19.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.161 -0.927 . . . . 74.23 110.865 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.04 -44.1 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.57 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 53.11 111.141 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.93 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 60.14 111.117 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -34.17 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -62.4 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.923 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.54 -39.11 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 54.12 110.865 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -65.91 -51.65 56.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.832 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.66 -34.05 69.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.2 110.857 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -38.06 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 55.5 110.849 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.14 -35.05 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.47 -37.49 71.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.926 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.04 -43.54 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.926 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.05 -24.17 68.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 75.42 112.506 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -84.85 -61.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 73.41 110.883 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.92 -35.0 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.37 27.35 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.18 85.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.33 112.495 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -134.77 168.87 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 72.23 110.884 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.906 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 53.37 33.3 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.162 -0.926 . . . . 42.42 110.91 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -100.28 -52.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.04 110.901 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.75 -22.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.23 111.127 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.56 -29.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.129 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -107.86 -34.27 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -62.4 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.934 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.31 -36.57 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.924 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.07 -30.39 70.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.06 -45.55 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.3 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.01 -30.91 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.875 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -58.25 -26.85 63.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.844 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.65 -28.67 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 64.41 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.43 -37.16 44.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.05 -26.25 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.867 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.26 -21.7 57.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 24.35 112.484 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.18 -30.43 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 73.33 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -105.67 -36.89 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.13 -38.43 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 54.42 110.937 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.21 87.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 54.21 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.81 -67.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 74.23 110.873 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.35 110.875 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -111.18 40.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.19 -0.914 . . . . 74.0 110.92 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.7 -41.43 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 65.21 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.77 -22.45 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 73.15 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 -29.93 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -34.48 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -62.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.919 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.42 -39.54 76.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.33 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -63.19 -32.43 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.842 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.52 -44.97 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.71 -47.07 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.836 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -52.93 -30.52 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.71 -35.53 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.15 -39.18 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 19' ' ' LEU . 28.0 mt -73.1 -28.66 62.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 62.24 110.925 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.91 -22.64 44.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.45 112.507 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.06 -32.63 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 64.34 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -82.43 -56.76 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.871 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' LEU . 8.4 mt -71.66 -38.12 70.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.912 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.75 -32.88 41.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 73.45 112.52 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -81.36 150.86 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 62.45 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.901 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -119.66 30.76 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.213 -0.903 . . . . 72.14 110.891 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -91.19 -41.55 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.05 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.81 -22.37 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.11 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.97 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.118 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -108.03 -34.54 6.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -62.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.56 -41.89 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -61.66 -27.68 68.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.93 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.05 -66.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -56.09 -46.84 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -52.84 -30.35 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.903 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -69.08 -41.38 77.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.875 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.47 -38.93 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.26 -41.44 63.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.0 -24.08 64.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 73.41 112.494 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -94.1 -48.17 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 63.43 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.27 -44.79 95.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.45 110.826 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -86.85 -48.68 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 41.41 110.91 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.52 40.35 1.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 73.31 112.498 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 57.63 44.5 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 70.11 110.87 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.902 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.547 ' N ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -125.71 -52.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.156 -0.929 . . . . 65.11 110.865 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -109.46 -29.1 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 74.45 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.74 -22.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.147 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 1' ' ' FME . . . -51.59 -29.89 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.109 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -108.06 -35.63 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.893 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.922 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.95 -44.36 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.864 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -57.23 -31.59 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 52.44 110.904 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.92 -55.32 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 54.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.95 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 62.13 110.864 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -56.14 -27.07 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -73.57 -27.48 61.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.866 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.51 -27.95 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.87 -43.9 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.01 110.916 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.81 75.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 74.53 112.516 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -94.14 -37.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 71.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -78.13 -45.58 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.13 -53.88 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 73.52 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.16 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 63.55 112.481 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -115.15 42.31 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 72.41 110.861 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.93 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 57.76 41.95 24.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.172 -0.922 . . . . 74.22 110.893 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -104.5 -46.34 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.893 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.119 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.9 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.06 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -107.66 -34.02 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 65.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 60.41 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.73 -35.75 71.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.15 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -68.53 -26.73 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -70.69 -26.73 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 14' ' ' LEU . 10.8 m-85 -97.16 -24.98 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -79.39 -33.7 42.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.931 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -35.03 79.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.9 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 11' ' ' PHE . 8.9 mt -70.96 -41.71 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -73.65 -41.1 63.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.958 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.32 -29.08 29.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 55.23 112.448 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.0 -26.7 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 74.23 110.927 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -107.54 -38.59 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 61.42 110.847 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.89 -34.14 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 53.24 110.941 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.71 -61.31 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 71.03 112.541 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -90.92 101.02 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 72.31 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 44.01 110.913 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.81 62.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.175 -0.92 . . . . 73.4 110.926 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -91.85 -52.25 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.895 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.89 -21.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.157 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.92 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -108.65 -36.39 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.905 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -64.12 -62.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.34 110.898 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -65.41 -26.04 67.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 53.21 110.868 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -74.17 -40.95 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.96 -40.2 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -56.21 -30.0 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.31 -30.9 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.98 -32.55 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.52 -30.26 37.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.83 -29.33 54.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.04 -30.2 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.32 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -100.79 -41.69 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.857 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -33.25 71.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.922 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.74 52.43 12.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 41.2 112.469 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -91.03 -50.64 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 73.43 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.865 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.81 38.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.157 -0.929 . . . . 75.43 110.88 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -111.19 -52.63 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 51.54 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.83 -22.09 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 53.31 111.128 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.8 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 44.23 111.101 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -108.46 -35.43 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.923 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.83 -45.81 85.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -57.83 -33.12 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.63 -56.57 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.21 110.835 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.79 -29.21 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.73 -37.5 82.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.837 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.34 -40.09 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.905 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.6 -25.07 49.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.2 -45.99 57.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.4 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -39.28 31.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.24 110.922 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.0 -36.89 75.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.84 -40.56 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 53.53 110.951 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.67 61.41 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 34.23 112.485 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -56.16 -26.37 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 74.33 110.877 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.904 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -103.8 65.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.187 -0.915 . . . . 71.31 110.862 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -99.89 -35.02 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.0 -21.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 62.21 111.135 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.79 -29.87 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 53.24 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -108.73 -36.29 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.14 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -62.26 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.922 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.13 -29.51 67.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -74.2 -26.33 60.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.94 -51.01 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.53 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.26 -35.73 81.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -55.71 -26.29 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.8 -27.06 40.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.824 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.29 -29.28 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 45.53 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -94.79 -26.64 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.59 -38.72 82.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 62.12 112.517 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -55.47 -30.23 60.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 74.54 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.74 -27.82 14.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -96.61 26.35 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.62 92.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 52.1 112.482 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -117.03 78.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 65.33 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.53 110.863 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.43 70.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.87 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -96.51 -26.82 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.25 -23.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 62.22 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.1 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.114 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -105.06 -37.17 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.42 -62.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.885 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.5 -28.57 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.25 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -76.06 -34.67 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -55.73 -38.95 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.863 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.65 -35.64 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 70.14 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -56.89 -33.4 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.5 -33.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.835 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.14 -35.94 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.941 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.28 -38.84 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.0 -26.81 71.59 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 65.52 112.457 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -91.46 -54.98 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 74.34 110.91 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.12 -39.91 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.912 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.03 26.69 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.953 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.08 -51.11 0.65 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 64.3 112.464 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -136.4 121.6 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 73.33 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 45.44 110.882 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.18 26.53 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.176 -0.92 . . . . 73.03 110.853 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.98 -40.29 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 73.53 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.03 -21.27 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 52.34 111.154 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -108.84 -36.15 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -62.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.944 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -58.58 -39.8 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -63.93 -28.0 69.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.888 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -66.76 -52.13 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 65.11 110.848 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.51 -37.46 86.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.902 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.13 -34.51 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 61.12 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.17 -37.12 78.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.64 -43.69 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.37 -30.44 60.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 71.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.25 28.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 51.42 112.468 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -45.58 91.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 74.41 110.893 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -84.52 -32.17 24.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.04 -50.44 64.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.05 73.37 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 62.12 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -121.5 135.0 55.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 73.11 110.914 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.9 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 53.39 52.36 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.212 -0.904 . . . . 73.41 110.918 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.28 -26.23 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.843 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.31 -23.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.36 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.25 111.147 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -105.07 -37.64 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -62.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.94 -42.51 72.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.847 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -64.35 -34.37 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.05 110.914 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.77 -46.09 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.921 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -73.99 -40.77 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.876 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -60.39 -26.14 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.04 -39.68 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.891 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.5 -39.6 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.94 -28.85 49.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.97 -27.81 38.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.467 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.04 -34.51 78.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 75.25 110.88 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.68 -49.02 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.16 -74.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 73.02 112.506 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.95 135.67 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 60.15 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.884 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.47 60.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.178 -0.919 . . . . 64.34 110.866 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.63 -26.42 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 70.5 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.23 -23.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 72.14 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.66 -30.1 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 54.13 111.061 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -37.97 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -62.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.29 -47.45 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -26.15 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 65.35 110.852 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -64.8 -46.59 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -67.81 -35.27 78.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 54.02 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -56.64 -26.43 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.3 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.31 -33.28 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.895 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.21 -37.41 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.46 -29.76 37.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.18 -22.46 49.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 60.31 112.462 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -60.09 -27.73 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 63.23 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -114.67 -29.74 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.869 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 mt -71.07 -30.27 66.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 41.59 2.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 31.23 112.525 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -158.0 139.61 13.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 74.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.21 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -120.16 26.79 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.181 -0.918 . . . . 61.32 110.921 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -91.07 -26.81 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.18 -23.33 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.128 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.11 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 60.14 111.146 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -105.4 -37.89 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.881 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -62.58 1.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.12 -43.56 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.873 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -36.51 80.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.59 -57.94 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.915 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.58 -34.68 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -57.02 -27.54 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.937 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.83 -39.16 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.876 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.92 -29.23 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.05 110.897 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -88.12 -26.14 22.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 54.01 110.957 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.19 -29.31 44.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 34.02 112.509 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -61.95 -30.68 71.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 73.53 110.894 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -98.13 -37.85 9.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.03 -34.58 77.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.05 110.912 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 43.39 2.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 62.25 112.504 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -102.61 -40.11 6.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 73.43 110.912 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 t30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.853 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -103.02 37.18 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.173 -0.921 . . . . 51.31 110.917 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.92 -44.57 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.879 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.52 -22.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 70.24 111.109 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.51 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 44.04 111.108 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.4 -25.9 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -63.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.964 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.97 -26.09 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.842 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -77.36 -31.63 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 54.22 110.901 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -75.0 -39.24 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.92 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.06 -44.74 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.53 110.875 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -56.1 -25.8 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.846 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -26.37 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.45 110.888 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.06 -25.21 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.44 -47.1 57.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 34.11 112.472 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -85.92 -36.22 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 74.35 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.02 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.841 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.65 -44.55 81.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 155.64 -67.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 74.43 112.537 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -137.01 141.71 42.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.44 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.906 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -96.69 63.2 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.178 -0.919 . . . . 74.24 110.843 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -103.77 -32.94 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.938 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.535 HG12 ' CD1' ' A' ' 8' ' ' PHE . 16.6 m -97.93 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -24.04 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.112 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -45.13 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.54 110.911 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.65 -67.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.0 m-85 -60.36 -25.98 66.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.908 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -76.12 -26.35 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 71.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -83.48 -52.21 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.43 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.61 -35.68 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.863 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.86 -31.37 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -71.11 -26.32 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.88 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.81 -39.38 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.05 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.88 -29.68 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.933 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.06 -32.83 43.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 73.42 112.505 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -59.69 -27.69 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.806 0.336 . . . . 71.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -100.35 -35.3 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.884 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.24 -43.44 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 54.44 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.29 3.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 33.41 112.477 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -129.35 100.99 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 54.43 110.921 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.918 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -113.84 64.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.169 -0.923 . . . . 74.11 110.915 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -115.78 -22.21 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.883 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.43 -23.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.33 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.58 -29.96 19.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 64.33 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -34.01 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.94 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -68.9 -62.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.941 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.77 -33.58 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.915 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.33 -53.43 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.38 -26.27 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 60.21 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.41 -31.25 62.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 73.52 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.82 -34.99 26.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.88 -44.26 32.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.925 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.96 45.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 70.32 112.451 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.85 -53.76 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 72.23 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.65 -30.4 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.58 28.26 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.48 26.26 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 44.34 112.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.19 132.78 55.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 71.54 110.861 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 62.55 110.865 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.865 0.365 . . . . 53.03 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -92.41 -38.45 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.911 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.78 -22.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.97 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -107.67 -33.92 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.908 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.39 -29.25 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.54 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -33.42 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.59 -50.4 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.2 110.828 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.54 -33.09 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -55.52 -28.61 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 65.23 110.945 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.06 -32.22 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.829 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.59 -38.42 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.73 -37.55 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -29.64 40.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 61.34 112.476 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.26 -29.2 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 73.34 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -99.84 -32.5 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.5 -29.5 70.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 52.34 112.514 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.894 0.378 . . . . 73.22 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -87.7 -46.23 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 74.14 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.81 -22.61 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.62 -29.87 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 41.43 111.099 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.77 -34.98 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -62.45 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -35.06 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.41 110.865 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -26.68 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -75.85 -41.11 53.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.87 -44.42 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.05 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -54.56 -27.54 39.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -71.02 -41.45 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.847 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.69 -41.16 88.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.87 -30.47 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.58 -25.99 44.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 32.43 112.496 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -63.18 -35.88 81.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 53.33 110.863 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.5 -35.72 11.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.41 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.76 -52.88 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.3 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 44.11 112.509 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 60.41 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.5 -53.04 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.66 -22.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.97 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.09 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -107.82 -33.86 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -67.83 -62.28 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.905 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.56 -39.19 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.865 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.6 -27.14 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -68.43 -46.86 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 54.02 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -75.89 -33.09 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -54.83 -27.39 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 74.52 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.02 -43.89 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.9 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.74 -26.17 40.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.922 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 19' ' ' LEU . . . -55.66 -32.67 58.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 63.14 112.482 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -58.03 -50.11 74.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 71.21 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.46 -37.42 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 16' ' ' GLY . 34.6 mt -53.4 -40.58 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 71.44 112.487 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 74.23 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.04 -44.1 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.57 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 53.11 111.141 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.93 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 60.14 111.117 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -34.17 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -62.4 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.923 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.54 -39.11 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 54.12 110.865 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -65.91 -51.65 56.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.832 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.66 -34.05 69.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.2 110.857 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -38.06 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 55.5 110.849 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.14 -35.05 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.47 -37.49 71.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.926 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.04 -43.54 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.926 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.05 -24.17 68.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 75.42 112.506 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -84.85 -61.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 73.41 110.883 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.92 -35.0 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.37 27.35 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.33 112.495 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.904 0.383 . . . . 42.42 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -100.28 -52.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.04 110.901 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.75 -22.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.23 111.127 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.56 -29.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.129 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -107.86 -34.27 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -62.4 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.934 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.31 -36.57 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.924 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.07 -30.39 70.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.06 -45.55 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.3 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.01 -30.91 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.875 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -58.25 -26.85 63.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.844 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.65 -28.67 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 64.41 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.43 -37.16 44.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.05 -26.25 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.867 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.26 -21.7 57.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 24.35 112.484 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.18 -30.43 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 73.33 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -105.67 -36.89 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.13 -38.43 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 54.42 110.937 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 54.21 112.537 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.881 0.372 . . . . 74.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.7 -41.43 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 65.21 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.77 -22.45 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 73.15 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 -29.93 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -34.48 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -62.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.919 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.42 -39.54 76.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.33 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -63.19 -32.43 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.842 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.52 -44.97 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.71 -47.07 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.836 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -52.93 -30.52 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.71 -35.53 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.15 -39.18 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 19' ' ' LEU . 28.0 mt -73.1 -28.66 62.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 62.24 110.925 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.91 -22.64 44.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.45 112.507 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.06 -32.63 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 64.34 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -82.43 -56.76 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.871 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' LEU . 8.4 mt -71.66 -38.12 70.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.912 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 73.45 112.52 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.888 0.375 . . . . 72.14 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -91.19 -41.55 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.05 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.81 -22.37 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.11 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.97 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.118 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -108.03 -34.54 6.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -62.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.56 -41.89 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -61.66 -27.68 68.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.93 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.05 -66.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -56.09 -46.84 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -52.84 -30.35 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.903 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -69.08 -41.38 77.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.875 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.47 -38.93 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.26 -41.44 63.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.0 -24.08 64.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 73.41 112.494 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -94.1 -48.17 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 63.43 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.27 -44.79 95.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.45 110.826 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -86.85 -48.68 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 41.41 110.91 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 73.31 112.498 179.908 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.912 0.387 . . . . 65.11 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -109.46 -29.1 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 74.45 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.74 -22.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.147 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.89 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.109 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -108.06 -35.63 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.893 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.922 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.95 -44.36 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.864 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -57.23 -31.59 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 52.44 110.904 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.92 -55.32 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 54.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.95 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 62.13 110.864 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -56.14 -27.07 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -73.57 -27.48 61.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.866 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.51 -27.95 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.87 -43.9 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.01 110.916 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.81 75.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 74.53 112.516 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -94.14 -37.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 71.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -78.13 -45.58 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.13 -53.88 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 73.52 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 63.55 112.481 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.879 0.371 . . . . 74.22 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -104.5 -46.34 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.893 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.119 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.9 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.06 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -107.66 -34.02 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 65.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 60.41 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.73 -35.75 71.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.15 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -68.53 -26.73 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -70.69 -26.73 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 14' ' ' LEU . 10.8 m-85 -97.16 -24.98 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -79.39 -33.7 42.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.931 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -35.03 79.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.9 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 11' ' ' PHE . 8.9 mt -70.96 -41.71 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -73.65 -41.1 63.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.958 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.32 -29.08 29.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 55.23 112.448 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.0 -26.7 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 74.23 110.927 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -107.54 -38.59 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 61.42 110.847 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.89 -34.14 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 53.24 110.941 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 71.03 112.541 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.858 0.361 . . . . 73.4 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -91.85 -52.25 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.895 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.89 -21.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.157 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.92 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -108.65 -36.39 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.905 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -64.12 -62.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.34 110.898 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -65.41 -26.04 67.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 53.21 110.868 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -74.17 -40.95 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.96 -40.2 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -56.21 -30.0 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.31 -30.9 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.98 -32.55 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.52 -30.26 37.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.83 -29.33 54.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.04 -30.2 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.32 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -100.79 -41.69 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.857 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -33.25 71.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.922 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 41.2 112.469 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.89 0.376 . . . . 75.43 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -111.19 -52.63 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 51.54 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.83 -22.09 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 53.31 111.128 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.8 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 44.23 111.101 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -108.46 -35.43 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.923 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.83 -45.81 85.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -57.83 -33.12 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.63 -56.57 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.21 110.835 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.79 -29.21 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.73 -37.5 82.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.837 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.34 -40.09 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.905 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.6 -25.07 49.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.2 -45.99 57.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.4 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -39.28 31.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.24 110.922 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.0 -36.89 75.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.84 -40.56 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 53.53 110.951 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 34.23 112.485 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.858 0.361 . . . . 71.31 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -99.89 -35.02 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.0 -21.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 62.21 111.135 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.79 -29.87 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 53.24 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -108.73 -36.29 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.14 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -62.26 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.922 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.13 -29.51 67.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -74.2 -26.33 60.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.94 -51.01 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.53 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.26 -35.73 81.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -55.71 -26.29 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.8 -27.06 40.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.824 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.29 -29.28 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 45.53 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -94.79 -26.64 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.59 -38.72 82.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 62.12 112.517 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -55.47 -30.23 60.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 74.54 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.74 -27.82 14.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -96.61 26.35 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 52.1 112.482 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.851 0.357 . . . . 73.02 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -96.51 -26.82 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.25 -23.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 62.22 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.1 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.114 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -105.06 -37.17 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.42 -62.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.885 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.5 -28.57 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.25 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -76.06 -34.67 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -55.73 -38.95 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.863 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.65 -35.64 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 70.14 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -56.89 -33.4 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.5 -33.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.835 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.14 -35.94 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.941 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.28 -38.84 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.0 -26.81 71.59 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 65.52 112.457 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -91.46 -54.98 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 74.34 110.91 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.12 -39.91 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.912 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.03 26.69 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.953 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 64.3 112.464 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 73.03 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.98 -40.29 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 73.53 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.03 -21.27 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 52.34 111.154 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -108.84 -36.15 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -62.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.944 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -58.58 -39.8 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -63.93 -28.0 69.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.888 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -66.76 -52.13 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 65.11 110.848 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.51 -37.46 86.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.902 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.13 -34.51 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 61.12 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.17 -37.12 78.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.64 -43.69 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.37 -30.44 60.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 71.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.25 28.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 51.42 112.468 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -45.58 91.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 74.41 110.893 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -84.52 -32.17 24.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.04 -50.44 64.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 62.12 112.482 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.909 0.385 . . . . 73.41 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.28 -26.23 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.843 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.31 -23.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.36 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.25 111.147 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -105.07 -37.64 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -62.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.94 -42.51 72.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.847 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -64.35 -34.37 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.05 110.914 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.77 -46.09 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.921 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -73.99 -40.77 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.876 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -60.39 -26.14 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.04 -39.68 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.891 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.5 -39.6 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.94 -28.85 49.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.97 -27.81 38.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.467 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.04 -34.51 78.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 75.25 110.88 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.68 -49.02 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 73.02 112.506 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.936 0.398 . . . . 64.34 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.63 -26.42 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 70.5 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.23 -23.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 72.14 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.66 -30.1 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 54.13 111.061 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -37.97 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -62.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.29 -47.45 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -26.15 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 65.35 110.852 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -64.8 -46.59 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -67.81 -35.27 78.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 54.02 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -56.64 -26.43 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.3 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.31 -33.28 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.895 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.21 -37.41 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.46 -29.76 37.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.18 -22.46 49.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 60.31 112.462 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -60.09 -27.73 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 63.23 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -114.67 -29.74 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.869 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 mt -71.07 -30.27 66.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 31.23 112.525 179.859 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.944 0.402 . . . . 61.32 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -91.07 -26.81 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.18 -23.33 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.128 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.11 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 60.14 111.146 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -105.4 -37.89 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.881 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -62.58 1.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.12 -43.56 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.873 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -36.51 80.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.59 -57.94 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.915 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.58 -34.68 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -57.02 -27.54 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.937 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.83 -39.16 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.876 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.92 -29.23 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.05 110.897 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -88.12 -26.14 22.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 54.01 110.957 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.19 -29.31 44.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 34.02 112.509 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -61.95 -30.68 71.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 73.53 110.894 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -98.13 -37.85 9.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.03 -34.58 77.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.05 110.912 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 62.25 112.504 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.896 0.379 . . . . 51.31 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.92 -44.57 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.879 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.52 -22.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 70.24 111.109 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.51 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 44.04 111.108 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.4 -25.9 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -63.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.964 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.97 -26.09 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.842 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -77.36 -31.63 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 54.22 110.901 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -75.0 -39.24 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.92 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.06 -44.74 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.53 110.875 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -56.1 -25.8 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.846 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -26.37 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.45 110.888 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.06 -25.21 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.44 -47.1 57.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 34.11 112.472 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -85.92 -36.22 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 74.35 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.02 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.841 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.65 -44.55 81.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 74.43 112.537 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.855 0.36 . . . . 74.24 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -103.77 -32.94 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.938 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.535 HG12 ' CD1' ' A' ' 8' ' ' PHE . 16.6 m -97.93 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -24.04 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.112 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -45.13 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.54 110.911 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.65 -67.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.0 m-85 -60.36 -25.98 66.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.908 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -76.12 -26.35 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 71.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -83.48 -52.21 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.43 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.61 -35.68 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.863 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.86 -31.37 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -71.11 -26.32 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.88 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.81 -39.38 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.05 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.88 -29.68 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.933 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.06 -32.83 43.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 73.42 112.505 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -59.69 -27.69 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.806 0.336 . . . . 71.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -100.35 -35.3 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.884 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.24 -43.44 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 54.44 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 33.41 112.477 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 74.11 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -115.78 -22.21 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.883 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.43 -23.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.33 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.58 -29.96 19.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 64.33 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -34.01 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.94 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -68.9 -62.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.941 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.77 -33.58 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.915 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.33 -53.43 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.38 -26.27 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 60.21 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.41 -31.25 62.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 73.52 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.82 -34.99 26.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.88 -44.26 32.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.925 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.96 45.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 70.32 112.451 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.85 -53.76 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 72.23 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.65 -30.4 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.58 28.26 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 44.34 112.493 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -120.05 51.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.163 -0.926 . . . . 53.03 110.879 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -92.41 -38.45 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.911 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.78 -22.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.97 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -107.67 -33.92 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.908 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.39 -29.25 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.54 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -33.42 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.59 -50.4 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.2 110.828 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.54 -33.09 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -55.52 -28.61 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 65.23 110.945 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.06 -32.22 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.829 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.59 -38.42 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.73 -37.55 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -29.64 40.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 61.34 112.476 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.26 -29.2 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 73.34 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -99.84 -32.5 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.5 -29.5 70.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.92 105.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 52.34 112.514 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.29 38.78 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 70.3 110.847 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.914 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.77 28.82 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.16 -0.927 . . . . 73.22 110.889 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -87.7 -46.23 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 74.14 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.81 -22.61 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.62 -29.87 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 41.43 111.099 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.77 -34.98 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -62.45 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -35.06 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.41 110.865 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -26.68 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -75.85 -41.11 53.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.87 -44.42 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.05 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -54.56 -27.54 39.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -71.02 -41.45 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 75.03 110.847 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.69 -41.16 88.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.87 -30.47 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.58 -25.99 44.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 32.43 112.496 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -63.18 -35.88 81.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 53.33 110.863 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.5 -35.72 11.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 72.41 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.76 -52.88 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.3 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 87.41 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 44.11 112.509 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -89.08 -40.83 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 70.41 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.922 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -131.86 36.72 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.169 -0.923 . . . . 60.41 110.876 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.5 -53.04 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.66 -22.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.97 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.09 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -107.82 -33.86 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -67.83 -62.28 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.905 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.56 -39.19 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.865 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.6 -27.14 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -68.43 -46.86 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 54.02 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -75.89 -33.09 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -54.83 -27.39 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 74.52 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.02 -43.89 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.9 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.74 -26.17 40.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.922 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 19' ' ' LEU . . . -55.66 -32.67 58.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 63.14 112.482 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -58.03 -50.11 74.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 71.21 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.46 -37.42 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 16' ' ' GLY . 34.6 mt -53.4 -40.58 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.69 -55.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 71.44 112.487 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 t30 54.86 29.77 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 73.34 110.848 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 65.34 110.87 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.09 49.84 19.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.161 -0.927 . . . . 74.23 110.865 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.04 -44.1 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.57 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 53.11 111.141 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.59 -29.93 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 60.14 111.117 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -34.17 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -62.4 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.923 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.54 -39.11 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 54.12 110.865 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -65.91 -51.65 56.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.832 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.66 -34.05 69.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.2 110.857 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -38.06 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 55.5 110.849 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.14 -35.05 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.47 -37.49 71.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.926 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.04 -43.54 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.926 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.05 -24.17 68.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 75.42 112.506 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -84.85 -61.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 73.41 110.883 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.92 -35.0 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.37 27.35 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.18 85.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.33 112.495 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -134.77 168.87 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 72.23 110.884 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.906 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 53.37 33.3 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.162 -0.926 . . . . 42.42 110.91 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -100.28 -52.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.04 110.901 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.75 -22.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.23 111.127 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.56 -29.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.129 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -107.86 -34.27 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -62.4 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.934 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.31 -36.57 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.924 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.07 -30.39 70.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.06 -45.55 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.3 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.01 -30.91 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.875 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -58.25 -26.85 63.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.844 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.65 -28.67 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 64.41 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.43 -37.16 44.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.05 -26.25 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.867 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.26 -21.7 57.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 24.35 112.484 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.18 -30.43 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 73.33 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -105.67 -36.89 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.13 -38.43 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 54.42 110.937 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.21 87.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 54.21 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.81 -67.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 74.23 110.873 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 64.35 110.875 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -111.18 40.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.19 -0.914 . . . . 74.0 110.92 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.7 -41.43 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 65.21 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.77 -22.45 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 73.15 111.109 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 -29.93 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -34.48 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -62.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.919 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.42 -39.54 76.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.33 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -63.19 -32.43 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.842 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.52 -44.97 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.71 -47.07 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.836 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -52.93 -30.52 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.71 -35.53 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.15 -39.18 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 19' ' ' LEU . 28.0 mt -73.1 -28.66 62.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 62.24 110.925 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.91 -22.64 44.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.45 112.507 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.06 -32.63 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 64.34 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -82.43 -56.76 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.871 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' LEU . 8.4 mt -71.66 -38.12 70.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.912 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.75 -32.88 41.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 73.45 112.52 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -81.36 150.86 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 62.45 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.901 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -119.66 30.76 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.213 -0.903 . . . . 72.14 110.891 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -91.19 -41.55 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.05 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.81 -22.37 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.11 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.97 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.118 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -108.03 -34.54 6.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -62.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.56 -41.89 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -61.66 -27.68 68.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.93 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.05 -66.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -56.09 -46.84 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -52.84 -30.35 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.903 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -69.08 -41.38 77.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.875 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.47 -38.93 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.26 -41.44 63.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.0 -24.08 64.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 73.41 112.494 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -94.1 -48.17 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 63.43 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.27 -44.79 95.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.45 110.826 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -86.85 -48.68 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 41.41 110.91 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.52 40.35 1.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 73.31 112.498 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 57.63 44.5 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 70.11 110.87 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.902 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.547 ' N ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -125.71 -52.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.156 -0.929 . . . . 65.11 110.865 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -109.46 -29.1 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 74.45 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.74 -22.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.147 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 1' ' ' FME . . . -51.59 -29.89 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.109 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -108.06 -35.63 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.893 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.922 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.95 -44.36 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.864 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -57.23 -31.59 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 52.44 110.904 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.92 -55.32 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 54.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.95 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 62.13 110.864 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -56.14 -27.07 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -73.57 -27.48 61.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.866 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.51 -27.95 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.87 -43.9 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.01 110.916 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.81 75.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 74.53 112.516 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -94.14 -37.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 71.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -78.13 -45.58 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.13 -53.88 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 73.52 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.16 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 63.55 112.481 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -115.15 42.31 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 72.41 110.861 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.93 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 57.76 41.95 24.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.172 -0.922 . . . . 74.22 110.893 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -104.5 -46.34 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.893 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.76 -22.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.119 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.9 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.06 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -107.66 -34.02 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 65.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 60.41 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.73 -35.75 71.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.15 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -68.53 -26.73 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -70.69 -26.73 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 14' ' ' LEU . 10.8 m-85 -97.16 -24.98 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -79.39 -33.7 42.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.931 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -35.03 79.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.9 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 11' ' ' PHE . 8.9 mt -70.96 -41.71 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -73.65 -41.1 63.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.958 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.32 -29.08 29.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 55.23 112.448 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.0 -26.7 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 74.23 110.927 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -107.54 -38.59 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 61.42 110.847 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.89 -34.14 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 53.24 110.941 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.71 -61.31 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 71.03 112.541 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -90.92 101.02 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 72.31 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 44.01 110.913 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.81 62.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.175 -0.92 . . . . 73.4 110.926 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -91.85 -52.25 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.895 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.89 -21.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.157 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.92 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -108.65 -36.39 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.905 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -64.12 -62.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.34 110.898 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -65.41 -26.04 67.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 53.21 110.868 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -74.17 -40.95 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.96 -40.2 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -56.21 -30.0 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.31 -30.9 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.98 -32.55 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.52 -30.26 37.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.83 -29.33 54.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.04 -30.2 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.32 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -100.79 -41.69 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.857 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -33.25 71.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.922 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.74 52.43 12.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 41.2 112.469 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -91.03 -50.64 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 73.43 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.865 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.81 38.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.157 -0.929 . . . . 75.43 110.88 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -111.19 -52.63 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 51.54 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.83 -22.09 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 53.31 111.128 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.8 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 44.23 111.101 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -108.46 -35.43 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.923 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.83 -45.81 85.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -57.83 -33.12 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.63 -56.57 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.21 110.835 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.79 -29.21 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.73 -37.5 82.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.837 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.34 -40.09 70.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.905 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.6 -25.07 49.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.2 -45.99 57.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.4 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -39.28 31.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.24 110.922 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.0 -36.89 75.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.84 -40.56 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 53.53 110.951 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.67 61.41 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 34.23 112.485 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -56.16 -26.37 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 74.33 110.877 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.904 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -103.8 65.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.187 -0.915 . . . . 71.31 110.862 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -99.89 -35.02 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.0 -21.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 62.21 111.135 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.79 -29.87 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 53.24 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -108.73 -36.29 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.14 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -62.26 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.922 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.13 -29.51 67.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -74.2 -26.33 60.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.94 -51.01 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.53 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.26 -35.73 81.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -55.71 -26.29 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.92 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.8 -27.06 40.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.824 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -78.29 -29.28 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 45.53 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -94.79 -26.64 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.59 -38.72 82.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 62.12 112.517 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -55.47 -30.23 60.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 74.54 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.74 -27.82 14.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -96.61 26.35 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.62 92.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 52.1 112.482 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -117.03 78.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 65.33 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.53 110.863 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.43 70.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.87 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -96.51 -26.82 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.25 -23.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 62.22 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.1 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.114 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -105.06 -37.17 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.42 -62.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.885 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.5 -28.57 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.25 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -76.06 -34.67 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -55.73 -38.95 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.863 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.65 -35.64 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 70.14 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -56.89 -33.4 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.5 -33.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.835 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.14 -35.94 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.941 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.28 -38.84 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.0 -26.81 71.59 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 65.52 112.457 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -91.46 -54.98 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 74.34 110.91 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.12 -39.91 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.912 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.03 26.69 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.953 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.08 -51.11 0.65 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 64.3 112.464 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -136.4 121.6 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 73.33 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 45.44 110.882 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.18 26.53 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.176 -0.92 . . . . 73.03 110.853 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.98 -40.29 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 73.53 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.03 -21.27 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 52.34 111.154 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -108.84 -36.15 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -62.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.944 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -58.58 -39.8 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -63.93 -28.0 69.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.888 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -66.76 -52.13 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 65.11 110.848 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.51 -37.46 86.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.902 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.13 -34.51 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 61.12 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.17 -37.12 78.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.64 -43.69 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.37 -30.44 60.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 71.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.25 28.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 51.42 112.468 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -45.58 91.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 74.41 110.893 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -84.52 -32.17 24.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.04 -50.44 64.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.05 73.37 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 62.12 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -121.5 135.0 55.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 73.11 110.914 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.9 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 53.39 52.36 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.212 -0.904 . . . . 73.41 110.918 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.28 -26.23 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.843 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.31 -23.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.36 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.25 111.147 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -105.07 -37.64 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -62.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.94 -42.51 72.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.847 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -64.35 -34.37 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.05 110.914 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.77 -46.09 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.921 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -73.99 -40.77 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.876 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -60.39 -26.14 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.04 -39.68 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.891 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.5 -39.6 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.94 -28.85 49.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.97 -27.81 38.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.467 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.04 -34.51 78.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 75.25 110.88 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.68 -49.02 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.16 -74.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 73.02 112.506 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.95 135.67 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 60.15 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.884 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.47 60.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.178 -0.919 . . . . 64.34 110.866 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.63 -26.42 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 70.5 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.23 -23.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 72.14 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.66 -30.1 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 54.13 111.061 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -37.97 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 74.2 110.883 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -62.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.29 -47.45 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -26.15 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 65.35 110.852 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -64.8 -46.59 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -67.81 -35.27 78.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 54.02 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -56.64 -26.43 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.3 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.31 -33.28 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.895 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.21 -37.41 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.46 -29.76 37.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.18 -22.46 49.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 60.31 112.462 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -60.09 -27.73 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 63.23 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -114.67 -29.74 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.869 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 mt -71.07 -30.27 66.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 41.59 2.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 31.23 112.525 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -158.0 139.61 13.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 74.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.21 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -120.16 26.79 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.181 -0.918 . . . . 61.32 110.921 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -91.07 -26.81 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.18 -23.33 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.128 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.11 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 60.14 111.146 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -105.4 -37.89 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.881 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -62.58 1.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.12 -43.56 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.873 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -36.51 80.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.59 -57.94 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.915 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.58 -34.68 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.938 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -57.02 -27.54 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.937 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.83 -39.16 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.876 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.92 -29.23 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.05 110.897 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -88.12 -26.14 22.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 54.01 110.957 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.19 -29.31 44.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 34.02 112.509 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -61.95 -30.68 71.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 73.53 110.894 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -98.13 -37.85 9.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -63.03 -34.58 77.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.05 110.912 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 43.39 2.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 62.25 112.504 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -102.61 -40.11 6.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 73.43 110.912 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 t30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.853 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -103.02 37.18 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.173 -0.921 . . . . 51.31 110.917 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.92 -44.57 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.879 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -83.52 -22.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 70.24 111.109 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.51 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 44.04 111.108 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.4 -25.9 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -63.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.964 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.97 -26.09 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.842 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -77.36 -31.63 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 54.22 110.901 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -75.0 -39.24 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.92 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.06 -44.74 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.53 110.875 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -56.1 -25.8 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.846 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -26.37 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.45 110.888 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.06 -25.21 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.54 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.44 -47.1 57.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 34.11 112.472 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -85.92 -36.22 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 74.35 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.02 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.841 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.65 -44.55 81.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 155.64 -67.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 74.43 112.537 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -137.01 141.71 42.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.44 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.906 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -96.69 63.2 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.178 -0.919 . . . . 74.24 110.843 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -103.77 -32.94 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.938 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.535 HG12 ' CD1' ' A' ' 8' ' ' PHE . 16.6 m -97.93 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -24.04 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.112 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -45.13 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.54 110.911 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.65 -67.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.0 m-85 -60.36 -25.98 66.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.908 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -76.12 -26.35 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 71.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -83.48 -52.21 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.43 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.61 -35.68 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.863 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.86 -31.37 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -71.11 -26.32 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.88 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.81 -39.38 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.05 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.88 -29.68 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.933 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.06 -32.83 43.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 73.42 112.505 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -59.69 -27.69 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.806 0.336 . . . . 71.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -100.35 -35.3 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.884 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.24 -43.44 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 54.44 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.29 3.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 33.41 112.477 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -129.35 100.99 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 54.43 110.921 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.918 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -113.84 64.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.169 -0.923 . . . . 74.11 110.915 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -115.78 -22.21 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.883 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.43 -23.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.33 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.58 -29.96 19.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 64.33 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -34.01 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.94 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -68.9 -62.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.941 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.77 -33.58 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.915 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.33 -53.43 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.38 -26.27 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 60.21 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.41 -31.25 62.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 73.52 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.82 -34.99 26.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.88 -44.26 32.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.925 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.96 45.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 70.32 112.451 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.85 -53.76 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 72.23 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.65 -30.4 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.58 28.26 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.48 26.26 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 44.34 112.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.19 132.78 55.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 71.54 110.861 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 62.55 110.865 -179.996 . . . . . . . . 0 0 . 1 stop_ save_